Geometry & MOs

Info

ID:

109706

PubChem CID:

50294864

Reduced:

FN6O6C43H47 (1)

Stoich.:

AB6C6D43E47 (1)

Weight, g/mol:

684.343547

ΔHf, kcal/mol:

-231.99

Dipole, Da:

13.5

IP(EA), eV:

 -8.26(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-oxo-2-[2-(piperidine-1-carbonyl)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)NC(=O)C6=CC=CC=C6OC)F)C

DOS

IR

Vibrations