Geometry & MOs

Info

ID:	12691
PubChem CID:	143918
Reduced:	OS2H4C7 (1)
Stoich.:	AB2C4D7 (1)
Weight, g/mol:	167.970357
ΔH_f, kcal/mol:	-4.94
Dipole, Da:	4.06
IP(EA), eV:	-9.3(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzodithiol-2-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)SC(=O)S2

DOS

IR

Vibrations