Geometry & MOs

Info

ID:

116563

PubChem CID:

50565990

Reduced:

ClFO5N6C36H48 (1)

Stoich.:

ABC5D6E36F48 (1)

Weight, g/mol:

684.320224

ΔHf, kcal/mol:

-280.51

Dipole, Da:

5.54

IP(EA), eV:

 -8.79(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[1-[4-fluoro-3-(propanoylamino)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC(=C(C=C1)F)NC(=O)C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCCCC4

DOS

IR

Vibrations