Geometry & MOs

Info

ID:

112473

PubChem CID:

50408644

Reduced:

O4N5C34H47 (1)

Stoich.:

A4B5C34D47 (1)

Weight, g/mol:

549.331505

ΔHf, kcal/mol:

-175.08

Dipole, Da:

5.65

IP(EA), eV:

 -8.94(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)N4CCCC(C4)C)C

DOS

IR

Vibrations