Geometry & MOs

Info

ID:

116504

PubChem CID:

50563505

Reduced:

Cl2O5N6C39H50 (1)

Stoich.:

A2B5C6D39E50 (1)

Weight, g/mol:

618.235746

ΔHf, kcal/mol:

-232.09

Dipole, Da:

10.78

IP(EA), eV:

 -8.44(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[2-[2-methyl-6-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N2CCCCC2)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)Cl)NC(=O)C6CCCCC6

DOS

IR

Vibrations