Geometry & MOs

Info

ID:

447444

PubChem CID:

135282935

Reduced:

FCl2N3O3H24C27 (1)

Stoich.:

AB2C3D3E24F27 (1)

Weight, g/mol:

554.148761

ΔHf, kcal/mol:

-84.37

Dipole, Da:

4.3

IP(EA), eV:

 -9.71(-1.16)

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-methylazetidin-3-yl)propanamide

Drug info:

PubChemData

Smile

CCC(=C)C1=CC2=C(C(=C1)F)C(N(C2=O)CC3=NC=C(C=N3)Cl)(C4=CC=C(C=C4)Cl)OC5CCOC5

DOS

IR

Vibrations