What's new in NMR 7.0
- The size of the internal database is considerably increased and now contains:
CNMR: over 1,800,000 experimental chemical shifts and 74,000 coupling constants for more than 155,000 structures; HNMR: over 1,320,000 experimental chemical shifts and 380,000 coupling constants for more than 155,000 structures; PNMR: over 25,900 experimental chemical shifts and 15,000 coupling constants for more than 28,800 structures; FNMR: over 27,000 experimental chemical shifts and 17,700 coupling constants for more than 12,600 structures; NNMR: over 17,900 experimental chemical shifts and 4,300 coupling constants for more than 7,700 structures. - Predict an extended class of compounds for NNMR, FNMR, and PNMR. New incremental scheme makes this possible.
What's new in PhysChem 7.0
- The calculation algorithm is improved for some classes of compounds that substantially increases the accuracy of prediction.
- ACD/pKa Predictor now allows to calculate properties for P=S compounds.
What's new in Name 7.0
- Supports an assignment of stereodescriptors to phosphorus, sulfur and arsenic.
- Supports an indication of Z/E configurations of cyclic double bonds for 8-membered rings and more.
- Supports naming of various radicals, anionic and cationic structures previously refused by ACD/Name.
- Includes several improvements in naming of natural and biochemical compounds. It include the following new possibilities:
- naming of N-glycosides;
- epoxy- and cyclo-modifications of natural parents;
- naming of cyclic peptides;
You can test the new capabilities of the coming soon ACD/Labs desktop products right now by performing calculations with I-Lab.