Geometry & MOs

Info

ID:

179683

PubChem CID:

76519212

Reduced:

AsNO3C7H7 (1)

Stoich.:

ABC3D7E7 (1)

Weight, g/mol:

439.010247

ΔHf, kcal/mol:

-10.07

Dipole, Da:

7.97

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.494434

Charge, e:

 0

Chem-info

IUPAC name:

disodium;3-(6-oxocyclohexa-2,4-dien-1-ylidene)-8-sulfonato-10bH-benzo[f]quinoline-1-carboxylate

Drug info:

PubChemData

Smile

C1C(=[As]=O)C=CC(=C1N)C(=O)O

DOS

IR

Vibrations