Geometry & MOs

Info

ID:

111614

PubChem CID:

50375318

Reduced:

O5N6C39H54 (1)

Stoich.:

A5B6C39D54 (1)

Weight, g/mol:

646.384269

ΔHf, kcal/mol:

-233.69

Dipole, Da:

5.29

IP(EA), eV:

 -8.8(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-(butan-2-ylcarbamoyl)-6-methylanilino]-2-oxoethyl]-1-[2-[2-methyl-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC=C4C(=O)NC5CCCCC5C)C)C

DOS

IR

Vibrations