Geometry & MOs

Info

ID:	51614
PubChem CID:	12014314
Reduced:	SO2C17H26 (1)
Stoich.:	AB2C17D26 (1)
Weight, g/mol:	254.134051
ΔH_f, kcal/mol:	-95.39
Dipole, Da:	4.22
IP(EA), eV:	-8.27(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-5-methyl-3-[(R)-(4-methylphenyl)sulfinyl]hexan-2-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[S@](=O)[C@H](CC2CCCCC2)[C@H](C)O

DOS

IR

Vibrations