Geometry & MOs

Info

ID:

112420

PubChem CID:

50406537

Reduced:

ClO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

646.384269

ΔHf, kcal/mol:

-188.93

Dipole, Da:

5.34

IP(EA), eV:

 -8.68(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=CC(=C4)C)Cl)C

DOS

IR

Vibrations