Geometry & MOs

Info

ID:	9177
PubChem CID:	86958
Reduced:	S2N4O4H20C21 (1)
Stoich.:	A2B4C4D20E21 (1)
Weight, g/mol:	456.092597
ΔH_f, kcal/mol:	-26.94
Dipole, Da:	2.61
IP(EA), eV:	-8.56(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-diazo-N-(2,5-dimethylphenyl)-6-(4-methylphenyl)sulfonyliminocyclohexa-1,4-diene-1-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N=C2C=CC(=[N+]=[N-])C=C2S(=O)(=O)NC3=C(C=CC(=C3)C)C

DOS

IR

Vibrations