Geometry & MOs

Info

ID:	51366
PubChem CID:	12014021
Reduced:	SO2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	222.071451
ΔH_f, kcal/mol:	-58.45
Dipole, Da:	3.56
IP(EA), eV:	-8.82(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-5-thiahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-4-ol

Drug info:

PubChemData

Smile

COC12C3C4CC5C3C(S1)(C6C5C4C26)OC

DOS

IR

Vibrations