Geometry & MOs

Info

ID:

447396

PubChem CID:

135282593

Reduced:

FCl2N2O4H25C27 (1)

Stoich.:

AB2C2D4E25F27 (1)

Weight, g/mol:

519.136112

ΔHf, kcal/mol:

-145.78

Dipole, Da:

5.15

IP(EA), eV:

 -9.58(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[5-acetyl-1-(4-chlorophenyl)-7-fluoro-1-[[1-(hydroxymethyl)cyclopropyl]methoxy]-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)O)O

DOS

IR

Vibrations