Geometry & MOs

Info

ID:

101820

PubChem CID:

50065093

Reduced:

F5N5O5C34H34 (1)

Stoich.:

A5B5C5D34E34 (1)

Weight, g/mol:

621.256289

ΔHf, kcal/mol:

-404.04

Dipole, Da:

13.5

IP(EA), eV:

 -8.94(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-(3-fluorophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC=C5OC(F)(F)F

DOS

IR

Vibrations