Geometry & MOs

Info

ID:

106804

PubChem CID:

50177010

Reduced:

FN6O6C39H47 (1)

Stoich.:

AB6C6D39E47 (1)

Weight, g/mol:

650.359197

ΔHf, kcal/mol:

-260.86

Dipole, Da:

9.42

IP(EA), eV:

 -8.79(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC=CC=C5OC)C

DOS

IR

Vibrations