Geometry & MOs

Info

ID:

90170

PubChem CID:

49967385

Reduced:

FN6O6C39H47 (1)

Stoich.:

AB6C6D39E47 (1)

Weight, g/mol:

702.334125

ΔHf, kcal/mol:

-262.45

Dipole, Da:

8.49

IP(EA), eV:

 -8.57(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC=C(C=C5)OC

DOS

IR

Vibrations