Geometry & MOs

Info

ID:

90463

PubChem CID:

49969863

Reduced:

ClFO4N5C33H43 (1)

Stoich.:

ABC4D5E33F43 (1)

Weight, g/mol:

643.334539

ΔHf, kcal/mol:

-229.77

Dipole, Da:

8.79

IP(EA), eV:

 -9.06(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[3-methyl-1-oxo-1-[3-(trifluoromethyl)anilino]butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations