Geometry & MOs

Info

ID:

92804

PubChem CID:

49989659

Reduced:

N3O3C21H26 (2)

Stoich.:

A3B3C21D26 (2)

Weight, g/mol:

688.394833

ΔHf, kcal/mol:

-230.62

Dipole, Da:

4.34

IP(EA), eV:

 -8.46(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-methoxy-3-(2-methylpropanoylamino)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)NC6CCCCC6)C)OC

DOS

IR

Vibrations