Geometry & MOs

Info

ID:	30993
PubChem CID:	854054
Reduced:	O2C5H5 (2)
Stoich.:	A2B5C5 (2)
Weight, g/mol:	209.93015
ΔH_f, kcal/mol:	-154.81
Dipole, Da:	1.47
IP(EA), eV:	-10.45(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-bis(methylsulfanyl)-1,3-dithiol-2-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCC(=O)O)C(=O)O

DOS

IR

Vibrations