Geometry & MOs

Info

ID:

120608

PubChem CID:

50736866

Reduced:

O5N6C35H46 (1)

Stoich.:

A5B6C35D46 (1)

Weight, g/mol:

658.384269

ΔHf, kcal/mol:

-190.21

Dipole, Da:

5.23

IP(EA), eV:

 -8.78(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[1-[2-methyl-5-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCC2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=CC=CC=C5C(=O)N(C)C

DOS

IR

Vibrations