Geometry & MOs

Info

ID:	337081
PubChem CID:	127256646
Reduced:	SO2C15H20 (1)
Stoich.:	AB2C15D20 (1)
Weight, g/mol:	264.118401
ΔH_f, kcal/mol:	-82.19
Dipole, Da:	4.38
IP(EA), eV:	-8.67(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations