Geometry & MOs

Info

ID:

118174

PubChem CID:

50631903

Reduced:

ClN6O6C38H43 (1)

Stoich.:

AB6C6D38E43 (1)

Weight, g/mol:

712.313996

ΔHf, kcal/mol:

-203.2

Dipole, Da:

9.82

IP(EA), eV:

 -8.69(-0.73)

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-[5-(cyclopentylcarbamoyl)-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC(=C(C=C5)Cl)C(=O)NC6=CC=CC=C6

DOS

IR

Vibrations