Geometry & MOs

Info

ID:

98417

PubChem CID:

50043957

Reduced:

ClO5N6C40H47 (1)

Stoich.:

AB5C6D40E47 (1)

Weight, g/mol:

714.293261

ΔHf, kcal/mol:

-184.4

Dipole, Da:

7.43

IP(EA), eV:

 -8.78(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-1-[1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)NC6=CC=CC=C6)C

DOS

IR

Vibrations