Geometry & MOs

Info

ID:

111605

PubChem CID:

50374499

Reduced:

N3O3C17H23 (2)

Stoich.:

A3B3C17D23 (2)

Weight, g/mol:

696.363533

ΔHf, kcal/mol:

-251.36

Dipole, Da:

1.92

IP(EA), eV:

 -8.36(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(3-methoxybenzoyl)amino]-4-methylanilino]-2-oxoethyl]-1-[2-[2-methyl-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N4CCC(CC4)C)OC

DOS

IR

Vibrations