Geometry & MOs

Info

ID:

117329

PubChem CID:

50598313

Reduced:

ClFN6O6C39H40 (1)

Stoich.:

ABC6D6E39F40 (1)

Weight, g/mol:

730.248202

ΔHf, kcal/mol:

-224.77

Dipole, Da:

4.42

IP(EA), eV:

 -8.78(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[2-fluoro-5-[(2-fluorobenzoyl)amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)OC)F)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations