Geometry & MOs

Info

ID:

447440

PubChem CID:

135282874

Reduced:

ClFO2N4H22C29 (1)

Stoich.:

ABC2D4E22F29 (1)

Weight, g/mol:

528.158263

ΔHf, kcal/mol:

39.06

Dipole, Da:

4.22

IP(EA), eV:

 -9.81(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-3-(4-chlorophenyl)-2-[(5-chloropyridin-2-yl)methyl]-3-(3-hydroxy-3-methylbutoxy)-6-(2-hydroxypropan-2-yl)isoindol-1-one

Drug info:

PubChemData

Smile

CC(=C)C1=CC2=C(C(=C1)F)[C@@](N(C2=O)CC3=NC=C(C=C3)C#N)(C4=CC=C(C=C4)Cl)OCC5(CC5)C#N

DOS

IR

Vibrations