Geometry & MOs

Info

ID:	51615
PubChem CID:	12014315
Reduced:	SO2C14H22 (1)
Stoich.:	AB2C14D22 (1)
Weight, g/mol:	240.118401
ΔH_f, kcal/mol:	-90.01
Dipole, Da:	3.79
IP(EA), eV:	-8.3(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations