Geometry & MOs

Info

ID:

110612

PubChem CID:

50332445

Reduced:

ClO5N6C35H47 (1)

Stoich.:

AB5C6D35E47 (1)

Weight, g/mol:

550.290368

ΔHf, kcal/mol:

-223.9

Dipole, Da:

2.05

IP(EA), eV:

 -8.54(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-(methylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[2-methyl-3-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)NC(=O)C(C)C)Cl)C(=O)N4CCCCC4

DOS

IR

Vibrations