Geometry & MOs

Info

ID:

119525

PubChem CID:

50688932

Reduced:

ClN6O6C37H47 (1)

Stoich.:

AB6C6D37E47 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-246.54

Dipole, Da:

7.08

IP(EA), eV:

 -9.04(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[3-methyl-1-[3-(methylcarbamoyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)NC2CCCC2)Cl)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)C(=O)N6CCOCC6

DOS

IR

Vibrations