Geometry & MOs

Info

ID:

97097

PubChem CID:

50027892

Reduced:

ClFN6O6C40H46 (1)

Stoich.:

ABC6D6E40F46 (1)

Weight, g/mol:

700.374847

ΔHf, kcal/mol:

-260.9

Dipole, Da:

10.45

IP(EA), eV:

 -8.91(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[3-(2-methylpropanoylamino)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)Cl)C(=O)N6CCOCC6

DOS

IR

Vibrations