Geometry & MOs

Info

ID:

111206

PubChem CID:

50357313

Reduced:

ClO5N6C38H51 (1)

Stoich.:

AB5C6D38E51 (1)

Weight, g/mol:

688.431219

ΔHf, kcal/mol:

-219.97

Dipole, Da:

10.42

IP(EA), eV:

 -9.12(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)N5CCCCC5)C

DOS

IR

Vibrations