Geometry & MOs

Info

ID:

109233

PubChem CID:

50277745

Reduced:

O4N5C37H47 (1)

Stoich.:

A4B5C37D47 (1)

Weight, g/mol:

689.25767

ΔHf, kcal/mol:

-164.09

Dipole, Da:

5.69

IP(EA), eV:

 -8.44(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-bromo-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4C)C)C

DOS

IR

Vibrations