Geometry & MOs

Info

ID:

112182

PubChem CID:

50398135

Reduced:

N3O3C20H27 (2)

Stoich.:

A3B3C20D27 (2)

Weight, g/mol:

611.21072

ΔHf, kcal/mol:

-249.13

Dipole, Da:

5.02

IP(EA), eV:

 -8.89(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2-bromoanilino)-3-oxopropyl]-1-[2-[3-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)C(=O)N6CCOCC6)C)C

DOS

IR

Vibrations