Geometry & MOs

Info

ID:

91035

PubChem CID:

49972909

Reduced:

ClF3O4N5C33H41 (1)

Stoich.:

AB3C4D5E33F41 (1)

Weight, g/mol:

589.362805

ΔHf, kcal/mol:

-331.73

Dipole, Da:

6.45

IP(EA), eV:

 -8.85(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]-1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=C(C=C4)Cl)C(F)(F)F

DOS

IR

Vibrations