Geometry & MOs

Info

ID:

447434

PubChem CID:

135282847

Reduced:

Cl2N2O4H24C27 (1)

Stoich.:

A2B2C4D24E27 (1)

Weight, g/mol:

570.123689

ΔHf, kcal/mol:

-91.2

Dipole, Da:

5.5

IP(EA), eV:

 -9.63(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-3-(4-chlorophenyl)-2-[(5-chloropyridin-2-yl)methyl]-4-fluoro-3-(2-hydroxyethoxy)-6-[1-hydroxy-1-(1-methylpyrazol-4-yl)ethyl]isoindol-1-one

Drug info:

PubChemData

Smile

CC(=O)C1=CC2=C(C=C1)C(N(C2=O)CC3=NC=C(C=C3)Cl)(C4=CC=C(C=C4)Cl)OC5CC(C5)CO

DOS

IR

Vibrations