Geometry & MOs

Info

ID:

110997

PubChem CID:

50347753

Reduced:

O4N5C33H43 (1)

Stoich.:

A4B5C33D43 (1)

Weight, g/mol:

587.347155

ΔHf, kcal/mol:

-157.41

Dipole, Da:

9.42

IP(EA), eV:

 -8.78(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methyl-6-(4-methylpiperidine-1-carbonyl)phenyl]-1-[2-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCCCC2)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)N5CCCC5

DOS

IR

Vibrations