Geometry & MOs

Info

ID:

111582

PubChem CID:

50373624

Reduced:

ClO5N6C35H47 (1)

Stoich.:

AB5C6D35E47 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-228.31

Dipole, Da:

7.14

IP(EA), eV:

 -8.89(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N4CCC(CC4)C

DOS

IR

Vibrations