Geometry & MOs

Info

ID:

447409

PubChem CID:

135282643

Reduced:

BrClFO3N4H23C29 (1)

Stoich.:

ABCD3E4F23G29 (1)

Weight, g/mol:

550.02074

ΔHf, kcal/mol:

-23.78

Dipole, Da:

5.61

IP(EA), eV:

 -9.84(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[(1R)-5-bromo-1-(4-chlorophenyl)-1-[(1-cyanocyclopropyl)methoxy]-7-fluoro-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(CBr)(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)O

DOS

IR

Vibrations