Geometry & MOs

Info

ID:	51373
PubChem CID:	12014029
Reduced:	SO2C22H26 (1)
Stoich.:	AB2C22D26 (1)
Weight, g/mol:	294.128966
ΔH_f, kcal/mol:	-64.13
Dipole, Da:	3.82
IP(EA), eV:	-8.99(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2(CC1)[C@@H](C[C@@H](O2)[C@@H](C3=CC=CC=C3)O)SC4=CC=CC=C4

DOS

IR

Vibrations