Geometry & MOs

Info

ID:

106474

PubChem CID:

50164541

Reduced:

N2O2C13H18 (3)

Stoich.:

A2B2C13D18 (3)

Weight, g/mol:

624.282696

ΔHf, kcal/mol:

-255.31

Dipole, Da:

9.01

IP(EA), eV:

 -8.26(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-chloro-2-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[4-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations