Geometry & MOs

Info

ID:

119227

PubChem CID:

50674590

Reduced:

Cl3O3N4C27H31 (1)

Stoich.:

A3B3C4D27E31 (1)

Weight, g/mol:

734.355861

ΔHf, kcal/mol:

-137.19

Dipole, Da:

4.1

IP(EA), eV:

 -9.17(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-chloro-5-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methoxy-5-(piperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)NC2CCCC2)Cl)N3CCC(CC3)C(=O)NC4=CC(=CC(=C4)Cl)Cl

DOS

IR

Vibrations