Geometry & MOs

Info

ID:	51377
PubChem CID:	12014033
Reduced:	SO3C16H22 (1)
Stoich.:	AB3C16D22 (1)
Weight, g/mol:	294.128966
ΔH_f, kcal/mol:	-138.02
Dipole, Da:	5.01
IP(EA), eV:	-8.75(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S,5S,6S)-1,6-dimethyl-3-(2-phenylsulfanylpropan-2-yl)-2,7,8-trioxabicyclo[3.2.1]octane

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