Geometry & MOs

Info

ID:

447414

PubChem CID:

135282692

Reduced:

FCl2N3O4H24C28 (1)

Stoich.:

AB2C3D4E24F28 (1)

Weight, g/mol:

565.12836

ΔHf, kcal/mol:

-129.13

Dipole, Da:

2.15

IP(EA), eV:

 -9.78(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(1R)-1-(4-chlorophenyl)-2-[(5-chloropyridin-2-yl)methyl]-1-methoxy-3-oxoisoindol-5-yl]-2-hydroxy-N-(1-methylpyrazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CC(C1=NC=C(C=C1)Cl)N2C(=O)C3=C([C@@]2(C4=CC=C(C=C4)Cl)OCC5(CC5)C(=O)N)C(=CC(=C3)C(=O)C)F

DOS

IR

Vibrations