Geometry & MOs

Info

ID:

111836

PubChem CID:

50382859

Reduced:

FO4N5C33H44 (1)

Stoich.:

AB4C5D33E44 (1)

Weight, g/mol:

601.362805

ΔHf, kcal/mol:

-226.27

Dipole, Da:

6.52

IP(EA), eV:

 -8.94(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[5-(cyclopentylcarbamoyl)-2-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)F)C)C

DOS

IR

Vibrations