Geometry & MOs

Info

ID:

117793

PubChem CID:

50616336

Reduced:

Cl3O4N5C26H30 (1)

Stoich.:

A3B4C5D26E30 (1)

Weight, g/mol:

625.08582

ΔHf, kcal/mol:

-160.52

Dipole, Da:

5.77

IP(EA), eV:

 -9.03(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-bromo-3-chloroanilino)-3-oxopropyl]-1-[1-[4-chloro-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)NC)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C(=CC=C3)Cl)Cl

DOS

IR

Vibrations