Geometry & MOs

Info

ID:	173531
PubChem CID:	75649302
Reduced:	O2N4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	324.07665
ΔH_f, kcal/mol:	36.86
Dipole, Da:	8.21
IP(EA), eV:	-8.57(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-nitro-4-[2-(1-pyrrol-1-ium-2-ylideneethyl)hydrazinyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C2CC(=NC3=NC=NN23)C4=CC=C(C=C4)C)OC

DOS

IR

Vibrations