Geometry & MOs

Info

ID:	236335
PubChem CID:	92712397
Reduced:	SN2O5C19H20 (1)
Stoich.:	AB2C5D19E20 (1)
Weight, g/mol:	408.05467
ΔH_f, kcal/mol:	-166.87
Dipole, Da:	3.8
IP(EA), eV:	-8.32(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)[C@@H]2CCC(=O)N2S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations