Geometry & MOs

Info

ID:

96414

PubChem CID:

50020747

Reduced:

ClO5N6C35H47 (1)

Stoich.:

AB5C6D35E47 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-219.38

Dipole, Da:

6.2

IP(EA), eV:

 -8.89(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-chloro-2-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)Cl)C(=O)N4CCCCC4

DOS

IR

Vibrations