Geometry & MOs

Info

ID:

92158

PubChem CID:

49983544

Reduced:

N3O3C19H25 (2)

Stoich.:

A3B3C19D25 (2)

Weight, g/mol:

700.394833

ΔHf, kcal/mol:

-237.07

Dipole, Da:

8.02

IP(EA), eV:

 -8.66(-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-methoxy-5-(piperidine-1-carbonyl)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)C(=O)N6CCCC6)OC

DOS

IR

Vibrations