Geometry & MOs

Info

ID:

447479

PubChem CID:

135283174

Reduced:

O3N6C29H34 (1)

Stoich.:

A3B6C29D34 (1)

Weight, g/mol:

627.170305

ΔHf, kcal/mol:

-38.94

Dipole, Da:

4.4

IP(EA), eV:

 -8.34(-0.42)

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-hydroxy-1-(oxan-4-yl)ethyl]-3-oxoisoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC(=C)CNCCOC(=O)NCC1=CC=C(C=C1)CN2C(=NC3=C2C4=CC=CC=C4N=C3N)C5CCCO5

DOS

IR

Vibrations