Geometry & MOs

Info

ID:

116509

PubChem CID:

50563580

Reduced:

ClN6O6C38H49 (1)

Stoich.:

AB6C6D38E49 (1)

Weight, g/mol:

718.360946

ΔHf, kcal/mol:

-248.44

Dipole, Da:

5.83

IP(EA), eV:

 -9.08(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)NC2CCCCC2)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)C(=O)N6CCOCC6

DOS

IR

Vibrations