Geometry & MOs

Info

ID:

109193

PubChem CID:

50275969

Reduced:

ClFN5O5C34H37 (1)

Stoich.:

ABC5D5E34F37 (1)

Weight, g/mol:

623.271939

ΔHf, kcal/mol:

-208.79

Dipole, Da:

5.97

IP(EA), eV:

 -8.8(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]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)NC4=CC(=C(C=C4)C(=O)N5CCOCC5)Cl)C)F

DOS

IR

Vibrations