Geometry & MOs

Info

ID:

46896

PubChem CID:

10528213

Reduced:

O4H30C31 (1)

Stoich.:

A4B30C31 (1)

Weight, g/mol:

466.148381

ΔHf, kcal/mol:

-71.98

Dipole, Da:

3.36

IP(EA), eV:

 -8.24(0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S)-1-[(4S,5S)-5-[(1S)-1-hydroxy-2-[(R)-(4-methylphenyl)sulfinyl]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(R)-(4-methylphenyl)sulfinyl]ethanol

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3=C(C=C(CCC4=CC(=C(C=C4)OC)OC5=CC=C(CC2)C=C5)C=C3)OC

DOS

IR

Vibrations