Geometry & MOs

Info

ID:

116956

PubChem CID:

50582384

Reduced:

ClO4N5C32H40 (1)

Stoich.:

AB4C5D32E40 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-164.14

Dipole, Da:

5.58

IP(EA), eV:

 -9.1(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-(butan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=CC(=CC=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5CCCC5

DOS

IR

Vibrations