Geometry & MOs

Info

ID:

92169

PubChem CID:

49983762

Reduced:

N5O6C34H45 (1)

Stoich.:

A5B6C34D45 (1)

Weight, g/mol:

692.368619

ΔHf, kcal/mol:

-236.85

Dipole, Da:

6.57

IP(EA), eV:

 -8.54(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-methyl-3-(phenylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)OC)OC

DOS

IR

Vibrations