Geometry & MOs

Info

ID:

447277

PubChem CID:

135281728

Reduced:

ClNO2C14H14 (2)

Stoich.:

ABC2D14E14 (2)

Weight, g/mol:

589.108373

ΔHf, kcal/mol:

-122.75

Dipole, Da:

5.54

IP(EA), eV:

 -9.4(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C1=CC2=C(C=C1)C(N(C2=O)CC3=CC=C(C=C3)Cl)(C4=CC=C(C=C4)Cl)OCC(=O)N(C)C)O

DOS

IR

Vibrations