Geometry & MOs

Info

ID:

93270

PubChem CID:

49992853

Reduced:

N3O3C21H26 (2)

Stoich.:

A3B3C21D26 (2)

Weight, g/mol:

672.399919

ΔHf, kcal/mol:

-222.44

Dipole, Da:

2.02

IP(EA), eV:

 -8.52(-0.62)

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-[3-(2-methylpropanoylamino)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)NC(=O)C6=CC=CC=C6OC

DOS

IR

Vibrations