Geometry & MOs

Info

ID:	51617
PubChem CID:	12014317
Reduced:	SO3C19H24 (1)
Stoich.:	AB3C19D24 (1)
Weight, g/mol:	296.144616
ΔH_f, kcal/mol:	-101.64
Dipole, Da:	4.16
IP(EA), eV:	-9.54(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-(benzenesulfonyl)-4-cyclohexylbutan-2-ol

Drug info:

PubChemData

Smile

CC(C)(C)C[C@@H]([C@H](C1=CC=CC=C1)O)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations