Geometry & MOs

Info

ID:

118280

PubChem CID:

50636810

Reduced:

ClFO5N6C31H40 (1)

Stoich.:

ABC5D6E31F40 (1)

Weight, g/mol:

734.392247

ΔHf, kcal/mol:

-260.55

Dipole, Da:

5.92

IP(EA), eV:

 -8.99(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[2-methyl-6-(piperidine-1-carbonyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC(C)C)Cl)F

DOS

IR

Vibrations