Geometry & MOs

Info

ID:

109440

PubChem CID:

50284197

Reduced:

ClFO5N6C41H44 (1)

Stoich.:

ABC5D6E41F44 (1)

Weight, g/mol:

720.320224

ΔHf, kcal/mol:

-200.69

Dipole, Da:

3.53

IP(EA), eV:

 -8.67(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)Cl)NC(=O)C5=CC=CC=C5)C)F

DOS

IR

Vibrations