Geometry & MOs

Info

ID:

447264

PubChem CID:

135281555

Reduced:

ClFO5H20C22 (1)

Stoich.:

ABC5D20E22 (1)

Weight, g/mol:

616.03314

ΔHf, kcal/mol:

-211.59

Dipole, Da:

1.42

IP(EA), eV:

 -9.88(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[(1R)-2-[(2-bromo-4-chlorophenyl)methyl]-1-(4-chlorophenyl)-7-fluoro-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-1-yl]oxymethyl]cyclopropane-1-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=CC(=C1)C(=O)C2CCOCC2)F)C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations