Geometry & MOs

Info

ID:

113898

PubChem CID:

50463221

Reduced:

FN6O6C43H49 (1)

Stoich.:

AB6C6D43E49 (1)

Weight, g/mol:

726.297739

ΔHf, kcal/mol:

-251.72

Dipole, Da:

4.09

IP(EA), eV:

 -8.52(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[5-[(2-fluorophenyl)carbamoyl]-2-methoxyanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=C(C=C4)F)C)NC(=O)C5=CC(=CC=C5)OC

DOS

IR

Vibrations