Geometry & MOs

Info

ID:

112085

PubChem CID:

50393959

Reduced:

N3O3C19H26 (2)

Stoich.:

A3B3C19D26 (2)

Weight, g/mol:

658.384269

ΔHf, kcal/mol:

-254.5

Dipole, Da:

4.82

IP(EA), eV:

 -8.94(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)N5CCOCC5)C(=O)NCC(C)C

DOS

IR

Vibrations