Geometry & MOs

Info

ID:

447408

PubChem CID:

135282642

Reduced:

ClF3N3O5H29C31 (1)

Stoich.:

AB3C3D5E29F31 (1)

Weight, g/mol:

608.06261

ΔHf, kcal/mol:

-268.27

Dipole, Da:

6.7

IP(EA), eV:

 -9.8(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C(=C1)F)[C@@](N(C2=O)CC3=NC=C(C=C3)C#N)(C4=CC=C(C=C4)Cl)OC[C@@H](CF)O)(C5(CCOCC5)F)O

DOS

IR

Vibrations