Geometry & MOs

Info

ID:

118018

PubChem CID:

50624504

Reduced:

ClO5N6C35H39 (1)

Stoich.:

AB5C6D35E39 (1)

Weight, g/mol:

738.293261

ΔHf, kcal/mol:

-170.32

Dipole, Da:

8.14

IP(EA), eV:

 -8.67(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-benzamido-3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[4-chloro-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC=CC=C2NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)N)Cl

DOS

IR

Vibrations