Geometry & MOs

Info

ID:

447245

PubChem CID:

135281430

Reduced:

NCl2O4H25C26 (1)

Stoich.:

AB2C4D25E26 (1)

Weight, g/mol:

541.142278

ΔHf, kcal/mol:

-132.27

Dipole, Da:

3.49

IP(EA), eV:

 -9.38(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-3-(4-chlorophenyl)-2-[(1S)-1-(4-chlorophenyl)ethyl]-3-[(3S,4R)-4-hydroxyoxolan-3-yl]oxy-6-(2-hydroxypropan-2-yl)isoindol-1-one

Drug info:

PubChemData

Smile

CC(C)(C1=CC2=C(C=C1)[C@@](N(C2=O)CC3=CC=C(C=C3)Cl)(C4=CC=C(C=C4)Cl)OCCO)O

DOS

IR

Vibrations