Geometry & MOs

Info

ID:	402435
PubChem CID:	135055950
Reduced:	N3O5C22H29 (1)
Stoich.:	A3B5C22D29 (1)
Weight, g/mol:	363.186815
ΔH_f, kcal/mol:	-126.85
Dipole, Da:	9.65
IP(EA), eV:	-8.83(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(cyclohexylidenemethyl)-1-(4-methoxyphenyl)sulfonyl-4,4-dimethylpyrrolidine

Drug info:

PubChemData

Smile

CCOC(C[C@@H](C(C)C)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations