Geometry & MOs

Info

ID:

92971

PubChem CID:

49990836

Reduced:

N3O3C20H27 (2)

Stoich.:

A3B3C20D27 (2)

Weight, g/mol:

712.431219

ΔHf, kcal/mol:

-259.79

Dipole, Da:

6.36

IP(EA), eV:

 -8.86(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[5-(cyclopentylcarbamoyl)-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NC6CCCCC6)C

DOS

IR

Vibrations