Geometry & MOs

Info

ID:

112022

PubChem CID:

50392406

Reduced:

N3O3C19H26 (2)

Stoich.:

A3B3C19D26 (2)

Weight, g/mol:

706.360946

ΔHf, kcal/mol:

-262.09

Dipole, Da:

3.73

IP(EA), eV:

 -8.14(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)OC)NC(=O)C4CCCCC4)C(=O)NC5CCCCC5

DOS

IR

Vibrations