Geometry & MOs

Info

ID:	152
PubChem CID:	2194
Reduced:	OS3H8C10 (1)
Stoich.:	AB3C8D10 (1)
Weight, g/mol:	239.973728
ΔH_f, kcal/mol:	28.64
Dipole, Da:	5.23
IP(EA), eV:	-8.62(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxyphenyl)dithiole-3-thione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC(=S)SS2

DOS

IR

Vibrations