Geometry & MOs

Info

ID:

115738

PubChem CID:

50532507

Reduced:

ClO4N5C34H44 (1)

Stoich.:

AB4C5D34E44 (1)

Weight, g/mol:

635.323833

ΔHf, kcal/mol:

-169.61

Dipole, Da:

12.41

IP(EA), eV:

 -8.84(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[2-methyl-6-(4-methylpiperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC=C4C(=O)N5CCCCC5)C)Cl

DOS

IR

Vibrations