Geometry & MOs

Info

ID:	50741
PubChem CID:	12013328
Reduced:	SO3C15H20 (1)
Stoich.:	AB3C15D20 (1)
Weight, g/mol:	280.113316
ΔH_f, kcal/mol:	-133.69
Dipole, Da:	2.31
IP(EA), eV:	-8.75(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,5R)-5-(2-phenylsulfanylpropan-2-yl)oxolan-3-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1C[C@@H](C(OC1)(C)C)SC2=CC=CC=C2

DOS

IR

Vibrations