Geometry & MOs

Info

ID:	62232
PubChem CID:	26718483
Reduced:	N4O6C17H18 (1)
Stoich.:	A4B6C17D18 (1)
Weight, g/mol:	432.083662
ΔH_f, kcal/mol:	-124.05
Dipole, Da:	3.7
IP(EA), eV:	-9.62(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(5-chloro-2-methoxyphenyl)-N'-(3-nitrobenzoyl)-5-oxopyrrolidine-3-carbohydrazide

Drug info:

PubChemData

Smile

CCC1=C(C(=C(N1)C(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C)C(=O)OC

DOS

IR

Vibrations