Geometry & MOs

Info

ID:	50742
PubChem CID:	12013329
Reduced:	SO3C15H20 (1)
Stoich.:	AB3C15D20 (1)
Weight, g/mol:	256.113316
ΔH_f, kcal/mol:	-133.34
Dipole, Da:	1.23
IP(EA), eV:	-8.85(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R)-5-methyl-5-phenylsulfanylhexane-1,2,4-triol

Drug info:

PubChemData

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

DOS

IR

Vibrations