Geometry & MOs

Info

ID:

447425

PubChem CID:

135282779

Reduced:

FCl2N4O4C31H33 (1)

Stoich.:

AB2C4D4E31F33 (1)

Weight, g/mol:

601.18921

ΔHf, kcal/mol:

-147.7

Dipole, Da:

2.8

IP(EA), eV:

 -9.43(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[(1R)-1-(4-chlorophenyl)-7-fluoro-1-[[1-(hydroxymethyl)cyclopropyl]methoxy]-5-[1-hydroxy-1-(1-methylpyrazol-4-yl)ethyl]-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations