Geometry & MOs

Info

ID:	66196
PubChem CID:	46500415
Reduced:	SN2C15H15 (1)
Stoich.:	AB2C15D15 (1)
Weight, g/mol:	329.05105
ΔH_f, kcal/mol:	73.34
Dipole, Da:	4.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.179105
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(3-oxo-1-benzothiophen-2-ylidene)-1H-benzo[g]indol-3-one

Drug info:

PubChemData

Smile

CN\1C2=CC=CC=C2S/C1=C/C3=CC=[N+](C=C3)C

DOS

IR

Vibrations