Geometry & MOs

Info

ID:

108415

PubChem CID:

50244284

Reduced:

F3O4N5C34H36 (1)

Stoich.:

A3B4C5D34E36 (1)

Weight, g/mol:

653.262517

ΔHf, kcal/mol:

-256.41

Dipole, Da:

4.42

IP(EA), eV:

 -9.13(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC=C5F)F)C

DOS

IR

Vibrations