Geometry & MOs

Info

ID:	9166
PubChem CID:	86928
Reduced:	OSH6C9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	324.027872
ΔH_f, kcal/mol:	30.1
Dipole, Da:	0.97
IP(EA), eV:	-9.09(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-bis(phenylsulfanyl)cyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SC2=CC(=O)C(=CC2=O)SC3=CC=CC=C3

DOS

IR

Vibrations