Geometry & MOs

Info

ID:	50745
PubChem CID:	12013332
Reduced:	SO3C15H20 (1)
Stoich.:	AB3C15D20 (1)
Weight, g/mol:	296.144616
ΔH_f, kcal/mol:	-132.0
Dipole, Da:	2.62
IP(EA), eV:	-8.5(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S)-4-(1-phenylsulfanylcyclohexyl)butane-1,2,4-triol

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1C[C@H](OC1)C(C)(C)SC2=CC=CC=C2

DOS

IR

Vibrations