Geometry & MOs

Info

ID:

110266

PubChem CID:

50317832

Reduced:

N6O6C37H44 (1)

Stoich.:

A6B6C37D44 (1)

Weight, g/mol:

612.306018

ΔHf, kcal/mol:

-216.18

Dipole, Da:

7.99

IP(EA), eV:

 -8.1(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-benzamidoanilino)-2-oxoethyl]-1-[2-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=CC=CC(=C5C)C(=O)N)OC

DOS

IR

Vibrations