Geometry & MOs

Info

ID:

119301

PubChem CID:

50677005

Reduced:

ClFN6O6C40H48 (1)

Stoich.:

ABC6D6E40F48 (1)

Weight, g/mol:

744.320224

ΔHf, kcal/mol:

-271.72

Dipole, Da:

9.69

IP(EA), eV:

 -8.45(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)F)OC)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCCCC5)Cl

DOS

IR

Vibrations