Geometry & MOs

Info

ID:

93675

PubChem CID:

49995981

Reduced:

O5N6C42H58 (1)

Stoich.:

A5B6C42D58 (1)

Weight, g/mol:

726.446869

ΔHf, kcal/mol:

-228.0

Dipole, Da:

9.42

IP(EA), eV:

 -8.62(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-methyl-6-(4-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC=CC(=C2NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)NC6CCCCC6C)C)C

DOS

IR

Vibrations