Geometry & MOs

Info

ID:

116807

PubChem CID:

50576278

Reduced:

ClFN6O6C40H46 (1)

Stoich.:

ABC6D6E40F46 (1)

Weight, g/mol:

696.320224

ΔHf, kcal/mol:

-266.54

Dipole, Da:

11.86

IP(EA), eV:

 -8.44(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-fluoro-5-(2-methylpropanoylamino)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)NC2CCCC2)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)NC(=O)C6=CC=CC=C6OC)F

DOS

IR

Vibrations