Geometry & MOs

Info

ID:

117189

PubChem CID:

50594136

Reduced:

ClFN6O6C35H38 (1)

Stoich.:

ABC6D6E35F38 (1)

Weight, g/mol:

744.320224

ΔHf, kcal/mol:

-247.46

Dipole, Da:

10.1

IP(EA), eV:

 -9.01(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations