Geometry & MOs

Info

ID:

116551

PubChem CID:

50565374

Reduced:

ClN6O6C37H47 (1)

Stoich.:

AB6C6D37E47 (1)

Weight, g/mol:

704.345296

ΔHf, kcal/mol:

-242.33

Dipole, Da:

13.28

IP(EA), eV:

 -9.02(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N2CCCCC2)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)C(=O)N6CCOCC6

DOS

IR

Vibrations