Geometry & MOs

Info

ID:	50740
PubChem CID:	12013327
Reduced:	SO3C15H20 (1)
Stoich.:	AB3C15D20 (1)
Weight, g/mol:	280.113316
ΔH_f, kcal/mol:	-129.76
Dipole, Da:	1.45
IP(EA), eV:	-8.95(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@]12OC[C@H](O1)C[C@@H](O2)C(C)(C)SC3=CC=CC=C3

DOS

IR

Vibrations