Geometry & MOs

Info

ID:

444226

PubChem CID:

135261802

Reduced:

N4O5C24H30 (1)

Stoich.:

A4B5C24D30 (1)

Weight, g/mol:

816.315059

ΔHf, kcal/mol:

-203.89

Dipole, Da:

7.3

IP(EA), eV:

 -8.76(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[5-[2-(6-cyano-2-oxo-1H-pyridin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperazin-1-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC3=C(C=C2)C(=O)N(CC3=C)C4CCC(=O)NC4=O

DOS

IR

Vibrations