Geometry & MOs

Info

ID:

116405

PubChem CID:

50559243

Reduced:

Cl2N6O6C35H42 (1)

Stoich.:

A2B6C6D35E42 (1)

Weight, g/mol:

710.275024

ΔHf, kcal/mol:

-237.49

Dipole, Da:

5.59

IP(EA), eV:

 -8.97(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(cyclopentylcarbamoyl)phenyl]-1-[1-[2-[4-chloro-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)N6CCOCC6)Cl)Cl

DOS

IR

Vibrations