Geometry & MOs

Info

ID:

116586

PubChem CID:

50567126

Reduced:

Cl2O5N6C35H44 (1)

Stoich.:

A2B5C6D35E44 (1)

Weight, g/mol:

689.17797

ΔHf, kcal/mol:

-212.54

Dipole, Da:

5.31

IP(EA), eV:

 -8.86(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-bromo-2-fluorophenyl)-1-[1-[1-[4-chloro-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N2CCCCC2)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)Cl)C(=O)N(C)C

DOS

IR

Vibrations