Geometry & MOs

Info

ID:	51619
PubChem CID:	12014319
Reduced:	SO3C13H20 (1)
Stoich.:	AB3C13D20 (1)
Weight, g/mol:	242.097666
ΔH_f, kcal/mol:	-132.83
Dipole, Da:	3.91
IP(EA), eV:	-10.19(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-(benzenesulfonyl)hexan-2-ol

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](CC(C)C)S(=O)(=O)C1=CC=CC=C1)O

DOS

IR

Vibrations