Geometry & MOs

Info

ID:	339265
PubChem CID:	127260644
Reduced:	OSC13H16 (1)
Stoich.:	ABC13D16 (1)
Weight, g/mol:	220.092186
ΔH_f, kcal/mol:	-28.03
Dipole, Da:	3.53
IP(EA), eV:	-8.58(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,6S)-2-methylsulfanyl-6-phenylcyclohexan-1-one

Drug info:

PubChemData

Smile

CS[C@@H]1CCC[C@@H](C1=O)C2=CC=CC=C2

DOS

IR

Vibrations