Geometry & MOs

Info

ID:

111905

PubChem CID:

50386188

Reduced:

N3O3C19H25 (2)

Stoich.:

A3B3C19D25 (2)

Weight, g/mol:

692.368619

ΔHf, kcal/mol:

-236.78

Dipole, Da:

2.12

IP(EA), eV:

 -8.89(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[3-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-(phenylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=C(C=C4)C(=O)N5CCOCC5)C(=O)NC6CCCC6

DOS

IR

Vibrations