Geometry & MOs

Info

ID:

444272

PubChem CID:

135261930

Reduced:

N3O4H17C18 (1)

Stoich.:

A3B4C17D18 (1)

Weight, g/mol:

794.330709

ΔHf, kcal/mol:

-97.07

Dipole, Da:

4.02

IP(EA), eV:

 -9.27(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-[4-[2-[[1,3-dioxo-2-(6-oxo-2-oxa-5-azaspiro[3.5]nonan-9-yl)isoindol-4-yl]amino]ethyl]piperazin-1-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2C=C1OCCCCC=O)N3C=CC(=O)NC3=O

DOS

IR

Vibrations