Geometry & MOs

Info

ID:	18791
PubChem CID:	548271
Reduced:	SO2C8H14 (1)
Stoich.:	AB2C8D14 (1)
Weight, g/mol:	174.071451
ΔH_f, kcal/mol:	-105.02
Dipole, Da:	3.25
IP(EA), eV:	-8.98(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-8-thiabicyclo[3.2.1]octan-3-ol

Drug info:

PubChemData

Smile

COC1CC2CC(CC1S2)O

DOS

IR

Vibrations