Geometry & MOs

Info

ID:	337082
PubChem CID:	127256647
Reduced:	SO2C15H20 (1)
Stoich.:	AB2C15D20 (1)
Weight, g/mol:	234.071451
ΔH_f, kcal/mol:	-85.65
Dipole, Da:	4.76
IP(EA), eV:	-8.98(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations