Geometry & MOs

Info

ID:

113921

PubChem CID:

50464523

Reduced:

FN6O6C40H43 (1)

Stoich.:

AB6C6D40E43 (1)

Weight, g/mol:

601.306433

ΔHf, kcal/mol:

-231.54

Dipole, Da:

3.23

IP(EA), eV:

 -8.39(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2,6-dimethylanilino)-3-oxopropyl]-1-[2-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)OC)C(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations