Geometry & MOs

Info

ID:

110680

PubChem CID:

50335785

Reduced:

FO4N5C32H36 (1)

Stoich.:

AB4C5D32E36 (1)

Weight, g/mol:

549.331505

ΔHf, kcal/mol:

-173.01

Dipole, Da:

5.06

IP(EA), eV:

 -8.78(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2,4-dimethylanilino)-3-oxopropyl]-1-[2-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)NC4=CC=C(C=C4)F)C

DOS

IR

Vibrations