Geometry & MOs

Info

ID:	11547
PubChem CID:	117416
Reduced:	OSCl2H2C8 (2)
Stoich.:	ABC2D2E8 (2)
Weight, g/mol:	433.837732
ΔH_f, kcal/mol:	-15.5
Dipole, Da:	0.01
IP(EA), eV:	-8.8(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7-dichloro-2-(4,7-dichloro-3-oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1Cl)C(=O)C(=C3C(=O)C4=C(C=CC(=C4S3)Cl)Cl)S2)Cl

DOS

IR

Vibrations