Geometry & MOs

Info

ID:

120616

PubChem CID:

50737106

Reduced:

FO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

507.284555

ΔHf, kcal/mol:

-214.37

Dipole, Da:

11.52

IP(EA), eV:

 -8.94(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-oxo-1-[2-(propylcarbamoyl)anilino]propan-2-yl]-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=CC=CC=C5C(=O)N(C)C)C

DOS

IR

Vibrations