Geometry & MOs

Info

ID:

343286

PubChem CID:

127266459

Reduced:

SN4O7H20C21 (1)

Stoich.:

AB4C7D20E21 (1)

Weight, g/mol:

513.168205

ΔHf, kcal/mol:

-79.02

Dipole, Da:

3.74

IP(EA), eV:

 -8.53(-1.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[(Z)-[4-(diethylamino)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]hydrazinyl]-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NN/C=C\3/C=CC(=O)C(=C3)OC)[N+](=O)[O-]

DOS

IR

Vibrations