Geometry & MOs

Info

ID:

104752

PubChem CID:

50105257

Reduced:

FO4N5C33H44 (1)

Stoich.:

AB4C5D33E44 (1)

Weight, g/mol:

564.306018

ΔHf, kcal/mol:

-228.2

Dipole, Da:

5.49

IP(EA), eV:

 -8.84(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[2-[3-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C4CCCCC4

DOS

IR

Vibrations