Geometry & MOs

Info

ID:	51365
PubChem CID:	12014020
Reduced:	SO2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	236.087101
ΔH_f, kcal/mol:	-36.67
Dipole, Da:	2.72
IP(EA), eV:	-8.64(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethoxy-5-thiahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane

Drug info:

PubChemData

Smile

COC1(C2C3CC4C2C(=S)C5C4C3C51)OC

DOS

IR

Vibrations