Geometry & MOs

Info

ID:	337088
PubChem CID:	127256653
Reduced:	SO2C12H14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	222.071451
ΔH_f, kcal/mol:	-69.09
Dipole, Da:	3.8
IP(EA), eV:	-8.94(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-methyl-3-phenylsulfanyloxan-2-one

Drug info:

PubChemData

Smile

C[C@@H]1CCOC(=O)[C@@H]1SC2=CC=CC=C2

DOS

IR

Vibrations