Geometry & MOs

Info

ID:

106587

PubChem CID:

50170057

Reduced:

ClO5N6C40H47 (1)

Stoich.:

AB5C6D40E47 (1)

Weight, g/mol:

726.329646

ΔHf, kcal/mol:

-194.16

Dipole, Da:

9.49

IP(EA), eV:

 -8.71(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-[(3-methylbenzoyl)amino]phenyl]-1-[1-[2-[4-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=C(C=C5)C(=O)NC6CCCC6)C)Cl

DOS

IR

Vibrations