Geometry & MOs

Info

ID:	51364
PubChem CID:	12014019
Reduced:	OS2C12H14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	236.087101
ΔH_f, kcal/mol:	7.66
Dipole, Da:	3.68
IP(EA), eV:	-8.77(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11,11-dimethoxypentacyclo[5.4.0.02,6.03,10.05,9]undecane-8-thione

Drug info:

PubChemData

Smile

COC1(C2C3CC4C2C(=S)C5C4C3C51)S

DOS

IR

Vibrations