Geometry & MOs

Info

ID:

113326

PubChem CID:

50440143

Reduced:

F3O5N6C39H39 (1)

Stoich.:

A3B5C6D39E39 (1)

Weight, g/mol:

530.269319

ΔHf, kcal/mol:

-278.69

Dipole, Da:

3.88

IP(EA), eV:

 -8.53(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-(2-methylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=CC=C4F)F)NC(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations