Geometry & MOs

Info

ID:	339061
PubChem CID:	127260072
Reduced:	NSO5H13C14 (1)
Stoich.:	ABC5D13E14 (1)
Weight, g/mol:	347.093977
ΔH_f, kcal/mol:	-82.96
Dipole, Da:	8.61
IP(EA), eV:	-9.79(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4Z)-4-[1-[2-(benzenesulfonyl)hydrazinyl]ethylidene]-3-oxocyclohexa-1,5-dien-1-yl]acetamide

Drug info:

PubChemData

Smile

CCC1=C(C=CC=C1OS(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations