Geometry & MOs

Info

ID:	51375
PubChem CID:	12014031
Reduced:	SO3C16H22 (1)
Stoich.:	AB3C16D22 (1)
Weight, g/mol:	294.128966
ΔH_f, kcal/mol:	-141.26
Dipole, Da:	2.99
IP(EA), eV:	-8.45(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations