Geometry & MOs

Info

ID:	50743
PubChem CID:	12013330
Reduced:	SO3C13H20 (1)
Stoich.:	AB3C13D20 (1)
Weight, g/mol:	280.113316
ΔH_f, kcal/mol:	-138.68
Dipole, Da:	3.81
IP(EA), eV:	-8.92(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,5R)-6,6-dimethyl-5-phenylsulfanyloxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC(C)([C@@H](C[C@H](CO)O)O)SC1=CC=CC=C1

DOS

IR

Vibrations