Geometry & MOs

Info

ID:	51367
PubChem CID:	12014022
Reduced:	SO2C12H14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	176.065972
ΔH_f, kcal/mol:	-62.39
Dipole, Da:	3.3
IP(EA), eV:	-8.95(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8-thione

Drug info:

PubChemData

Smile

COC12C3C4CC5C3C(S1)(C6C5C4C26)O

DOS

IR

Vibrations