Geometry & MOs

Info

ID:

447439

PubChem CID:

135282870

Reduced:

FCl2N4O5H21C27 (1)

Stoich.:

AB2C4D5E21F27 (1)

Weight, g/mol:

512.141532

ΔHf, kcal/mol:

-143.35

Dipole, Da:

8.97

IP(EA), eV:

 -9.26(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[(1R)-1-(4-chlorophenyl)-1-[(1-cyanocyclopropyl)methoxy]-7-fluoro-3-oxo-5-prop-1-en-2-ylisoindol-2-yl]methyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CN1C=C(N=C1)C(=O)C2=CC3=C(C(=C2)F)[C@@](N(C3=O)CC4=C(C=C(C=N4)Cl)O)(C5=CC=C(C=C5)Cl)OCCO

DOS

IR

Vibrations