Geometry & MOs

Info

ID:

447373

PubChem CID:

135282402

Reduced:

ClFN4O4H30C31 (1)

Stoich.:

ABC4D4E30F31 (1)

Weight, g/mol:

529.133525

ΔHf, kcal/mol:

-90.32

Dipole, Da:

3.92

IP(EA), eV:

 -9.43(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-2-[(5-chloropyridin-2-yl)methyl]-4-fluoro-3-hydroxy-6-(1-hydroxy-1-piperidin-4-ylethyl)isoindol-1-one

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)CN2C(=O)C3=C([C@@]2(C4=CC=C(C=C4)Cl)OCC5(CC5)O)C(=CC(=C3)C(C)(C6=CN(N=C6)C)O)F

DOS

IR

Vibrations