Geometry & MOs

Info

ID:

444367

PubChem CID:

135262201

Reduced:

ClN6O6C41H49 (1)

Stoich.:

AB6C6D41E49 (1)

Weight, g/mol:

730.299409

ΔHf, kcal/mol:

-223.09

Dipole, Da:

12.33

IP(EA), eV:

 -8.67(-0.68)

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-[3-[1-(2,6-dioxopiperidin-3-yl)-6-oxopyridazin-4-yl]oxypropyl]piperazin-1-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1(C(C(C1OC2=CC(=C(C=C2)C#N)Cl)(C)C)NC(=O)C3=CC=C(C=C3)N4CCC(CC4)CN5CCC6(CC5)CC(=O)N(C6=O)C7CCC(=O)NC7=O)C

DOS

IR

Vibrations