Geometry & MOs

Info

ID:

444318

PubChem CID:

135262067

Reduced:

ClO6N8C45H53 (1)

Stoich.:

AB6C8D45E53 (1)

Weight, g/mol:

801.340545

ΔHf, kcal/mol:

-146.27

Dipole, Da:

8.87

IP(EA), eV:

 -8.63(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[1,3-dioxo-2-(2-oxo-1H-pyridin-3-yl)isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide

Drug info:

PubChemData

Smile

CC1(C(C(C1OC2=CC(=C(C=C2)C#N)Cl)(C)C)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CCCCCOC5=CC=CC(=C5)C6=NN(C(=O)N6C)C7CCC(=O)NC7=O)C

DOS

IR

Vibrations