Geometry & MOs

Info

ID:

117367

PubChem CID:

50599961

Reduced:

ClFN6O6C37H42 (1)

Stoich.:

ABC6D6E37F42 (1)

Weight, g/mol:

708.263852

ΔHf, kcal/mol:

-260.12

Dipole, Da:

4.53

IP(EA), eV:

 -8.78(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-[4-fluoro-3-[(2-fluorobenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)NC2CCCC2)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC=C(C=C5)OC

DOS

IR

Vibrations