Geometry & MOs

Info

ID:	27917
PubChem CID:	824145
Reduced:	NO2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	287.036462
ΔH_f, kcal/mol:	-51.22
Dipole, Da:	5.29
IP(EA), eV:	-8.55(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-acetyl-2-hydroxyindol-3-yl)-2-sulfanylideneimidazol-4-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

DOS

IR

Vibrations