Geometry & MOs

Info

ID:

53512

PubChem CID:

14716412

Reduced:

SN2O4C9H13 (1)

Stoich.:

AB2C4D9E13 (1)

Weight, g/mol:

197.022526

ΔHf, kcal/mol:

-143.38

Dipole, Da:

5.63

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.964605

Charge, e:

 0

Chem-info

IUPAC name:

2,3-dioxo-1H-indole-5,6-dicarbonitrile

Drug info:

PubChemData

Smile

CNC(=O)[N+]1=CC=C(C=C1)CCS(=O)(=O)O

DOS

IR

Vibrations