Geometry & MOs

Info

ID:	343289
PubChem CID:	127266462
Reduced:	SN4O7H20C21 (1)
Stoich.:	AB4C7D20E21 (1)
Weight, g/mol:	476.055733
ΔH_f, kcal/mol:	-77.71
Dipole, Da:	4.08
IP(EA), eV:	-8.86(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-4-[2-[(1E)-1-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]hydrazinyl]-3-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)NN/C=C\3/C=CC(=O)C(=C3)OC)[N+](=O)[O-]

DOS

IR

Vibrations