Geometry & MOs

Info

ID:

111084

PubChem CID:

50351490

Reduced:

BrO4N5C32H44 (1)

Stoich.:

AB4C5D32E44 (1)

Weight, g/mol:

551.310769

ΔHf, kcal/mol:

-178.94

Dipole, Da:

4.79

IP(EA), eV:

 -8.85(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-methoxyanilino)-1-oxopropan-2-yl]-1-[1-[2-methyl-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=C(C=C3)Br)C(=O)NCC(C)C

DOS

IR

Vibrations