Geometry & MOs

Info

ID:	51613
PubChem CID:	12014313
Reduced:	SO2C20H26 (1)
Stoich.:	AB2C20D26 (1)
Weight, g/mol:	294.165351
ΔH_f, kcal/mol:	-60.89
Dipole, Da:	5.37
IP(EA), eV:	-8.16(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-4-cyclohexyl-3-[(R)-(4-methylphenyl)sulfinyl]butan-2-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[S@](=O)[C@@H](CC(C)(C)C)[C@H](C2=CC=CC=C2)O

DOS

IR

Vibrations