Geometry & MOs

Info

ID:

90284

PubChem CID:

49968186

Reduced:

ClO5N6C35H47 (1)

Stoich.:

AB5C6D35E47 (1)

Weight, g/mol:

688.318475

ΔHf, kcal/mol:

-215.64

Dipole, Da:

8.63

IP(EA), eV:

 -9.06(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-fluoro-5-[(3-fluorobenzoyl)amino]anilino]-2-oxoethyl]-1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C)C)Cl

DOS

IR

Vibrations