Geometry & MOs

Info

ID:

94268

PubChem CID:

49999329

Reduced:

ClN6O6C40H53 (1)

Stoich.:

AB6C6D40E53 (1)

Weight, g/mol:

688.431219

ΔHf, kcal/mol:

-263.55

Dipole, Da:

8.22

IP(EA), eV:

 -9.03(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]-N-[3-methyl-1-oxo-1-[2-(propylcarbamoyl)anilino]butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)Cl)C(=O)N6CCOCC6

DOS

IR

Vibrations