Geometry & MOs

Info

ID:	337083
PubChem CID:	127256648
Reduced:	SO2C13H14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	234.071451
ΔH_f, kcal/mol:	-47.59
Dipole, Da:	4.38
IP(EA), eV:	-8.98(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations