Geometry & MOs

Info

ID:

444312

PubChem CID:

135262056

Reduced:

ClN5O6C38H42 (1)

Stoich.:

AB5C6D38E42 (1)

Weight, g/mol:

820.296295

ΔHf, kcal/mol:

-199.4

Dipole, Da:

3.8

IP(EA), eV:

 -9.42(-0.79)

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-[2-[1,3-dioxo-2-[2-oxo-6-(trifluoromethyl)piperidin-3-yl]isoindol-5-yl]oxyethyl]piperazin-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)/C=C/CN4CCC5(CC4)CC(=O)N(C5=O)C6CCC(=O)NC6=O)C

DOS

IR

Vibrations