Geometry & MOs

Info

ID:	195977
PubChem CID:	78758891
Reduced:	ClN4O4C19H22 (1)
Stoich.:	AB4C4D19E22 (1)
Weight, g/mol:	382.098728
ΔH_f, kcal/mol:	-30.03
Dipole, Da:	7.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.954760
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetylphenyl)-2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

C[NH+](CC(=O)N(C)C)C(C1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations