Geometry & MOs

Info

ID:	51376
PubChem CID:	12014032
Reduced:	SO3C16H22 (1)
Stoich.:	AB3C16D22 (1)
Weight, g/mol:	294.128966
ΔH_f, kcal/mol:	-137.63
Dipole, Da:	3.11
IP(EA), eV:	-8.24(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S,5S)-2,6,6-trimethyl-5-phenylsulfanyloxan-3-yl] acetate

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](C[C@@H](C(O1)(C)C)SC2=CC=CC=C2)OC(=O)C

DOS

IR

Vibrations