Geometry & MOs

Info

ID:	390067
PubChem CID:	134996896
Reduced:	OSC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	222.107836
ΔH_f, kcal/mol:	-56.95
Dipole, Da:	6.49
IP(EA), eV:	-8.05(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3S)-3-methyl-2-(phenylsulfanylmethyl)cyclopentan-1-ol

Drug info:

PubChemData

Smile

CCS/C=C\1/CCCC1S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations