Geometry & MOs

Info

ID:

112132

PubChem CID:

50396248

Reduced:

O5N6C36H48 (1)

Stoich.:

A5B6C36D48 (1)

Weight, g/mol:

686.298346

ΔHf, kcal/mol:

-226.17

Dipole, Da:

1.38

IP(EA), eV:

 -8.78(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(2-chlorobenzoyl)amino]anilino]-1-oxopropan-2-yl]-1-[2-[3-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC=C3C(=O)NC4CCCC4)C(=O)NC5CCCC5

DOS

IR

Vibrations