Geometry & MOs

Info

ID:	7443
PubChem CID:	72707
Reduced:	OS2H4C7 (1)
Stoich.:	AB2C4D7 (1)
Weight, g/mol:	167.970357
ΔH_f, kcal/mol:	-5.43
Dipole, Da:	3.99
IP(EA), eV:	-8.96(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-benzodithiol-3-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)SS2

DOS

IR

Vibrations