Geometry & MOs

Info

ID:

106801

PubChem CID:

50176909

Reduced:

N2O2C13H18 (3)

Stoich.:

A2B2C13D18 (3)

Weight, g/mol:

658.384269

ΔHf, kcal/mol:

-272.05

Dipole, Da:

6.1

IP(EA), eV:

 -8.88(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[2-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCCC2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)N5CCOCC5)C

DOS

IR

Vibrations