Geometry & MOs

Info

ID:	50746
PubChem CID:	12013333
Reduced:	SO3C16H24 (1)
Stoich.:	AB3C16D24 (1)
Weight, g/mol:	296.144616
ΔH_f, kcal/mol:	-145.46
Dipole, Da:	2.59
IP(EA), eV:	-8.62(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)([C@H](C[C@@H](CO)O)O)SC2=CC=CC=C2

DOS

IR

Vibrations