Geometry & MOs

Info

ID:

444191

PubChem CID:

135261622

Reduced:

ClO5N8C43H47 (1)

Stoich.:

AB5C8D43E47 (1)

Weight, g/mol:

824.377659

ΔHf, kcal/mol:

-87.02

Dipole, Da:

8.14

IP(EA), eV:

 -8.88(-1.43)

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-[[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxo-1,2-dihydroquinazolin-8-yl]oxy]pentyl]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=CN=C(C=C3)N4CCN(CC4)CCCCCOC5=CC6=CN=CC(=C6C=C5)N7C=CC(=O)NC7=O)C

DOS

IR

Vibrations