Geometry & MOs

Info

ID:	27719
PubChem CID:	823270
Reduced:	SO3C14H22 (1)
Stoich.:	AB3C14D22 (1)
Weight, g/mol:	284.144616
ΔH_f, kcal/mol:	-130.03
Dipole, Da:	5.48
IP(EA), eV:	-8.83(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-[(1S)-1-(4-tert-butylphenyl)ethyl]sulfinylpropane-1,2-diol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CS(=O)C[C@@H](CO)O

DOS

IR

Vibrations