Geometry & MOs

Info

ID:

119273

PubChem CID:

50676227

Reduced:

ClO5N6C38H49 (1)

Stoich.:

AB5C6D38E49 (1)

Weight, g/mol:

734.392247

ΔHf, kcal/mol:

-227.38

Dipole, Da:

5.55

IP(EA), eV:

 -8.54(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NC2=CC(=CC=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)NC6CCCC6)Cl

DOS

IR

Vibrations