Geometry & MOs

Info

ID:

118019

PubChem CID:

50624587

Reduced:

ClN6O6C40H43 (1)

Stoich.:

AB6C6D40E43 (1)

Weight, g/mol:

700.277611

ΔHf, kcal/mol:

-180.63

Dipole, Da:

10.87

IP(EA), eV:

 -8.37(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-chloro-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-(morpholine-4-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2)OC)NC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations