Geometry & MOs

Info

ID:	383332
PubChem CID:	134975003
Reduced:	PSO4C13H13 (1)
Stoich.:	ABC4D13E13 (1)
Weight, g/mol:	317.105193
ΔH_f, kcal/mol:	-142.57
Dipole, Da:	1.5
IP(EA), eV:	-8.6(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-1-hydroxy-3-phenylbenzo[e]indol-2-one

Drug info:

PubChemData

Smile

C1C2C(COP(O1)C3=CC4=CC=CC=C4S3)OCO2

DOS

IR

Vibrations