Geometry & MOs

Info

ID:	163727
PubChem CID:	58874656
Reduced:	SN2O2H18C24 (1)
Stoich.:	AB2C2D18E24 (1)
Weight, g/mol:	565.163119
ΔH_f, kcal/mol:	33.14
Dipole, Da:	4.48
IP(EA), eV:	-8.34(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(benzenesulfonylcarbamoyl)phenyl]-3-nitro-4-[3-(2-oxopyrrolidin-1-yl)propylamino]benzamide

Drug info:

PubChemData

Smile

C1C2=C(CN1C3=CC=C(C=C3)C4=CSC(=N4)C5=CC=CC=C5)C=C(C=C2)C(=O)O

DOS

IR

Vibrations