Geometry & MOs

Info

ID:

115829

PubChem CID:

50535543

Reduced:

ClFO4N5C32H41 (1)

Stoich.:

ABC4D5E32F41 (1)

Weight, g/mol:

627.298761

ΔHf, kcal/mol:

-216.85

Dipole, Da:

3.34

IP(EA), eV:

 -9.05(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[1-(4-fluoro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations