New answers tagged

2

In the RDKit Cookbook is an example how to find the indices of ring systems. RDKit Cookbook Example Having the indices, it is simple to find the largest ring. from rdkit import Chem from rdkit.Chem import Draw from rdkit.Chem.Draw import IPythonConsole IPythonConsole.molSize = (400, 300) IPythonConsole.drawOptions.addAtomIndices = True m = Chem....


1

I have carried out a calculation of NO43- (B3LYP/ccpVTZ) followed by the ELF population analysis. This method provides a partition of the electron density which is consistent with the Lewis's picture. The valence shell of N is the union of 4 V(N,O) basins each with a population of 1.375 e-, the total population of the nitrogen valence shell is, accordingly 5....


5

What is the relationship between given pair of molecules? They are enantiomers as given underlined answer. How did you know that? You know that by assigning $R/S$ configuration (following Cahn-Ingold-Prelog rules) on each chiral carbon. That is the easiest way to identify the enantiomers. If you have one chiral center in the molecule and its CIP-rotation ...


-3

Enatiomers are "optical isomers which are mirror images of each other" For any compound to show optical isomerism disymmetry is the thumb rule. For checking disymmetry compound should have dissymetric center(s). If we consider the given structures they have 2 chiral centres each and now we need to draw the fisher diagram and find R/S configuration ...


Top 50 recent answers are included