Geometry & MOs

Info

ID:	401456
PubChem CID:	135051332
Reduced:	OSC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	141.991093
ΔH_f, kcal/mol:	-48.74
Dipole, Da:	5.64
IP(EA), eV:	-8.93(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylthiopyran-4-thione

Drug info:

PubChemData

Smile

CCC1=C(SSC1=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations