Geometry & MOs

Info

ID:

104095

PubChem CID:

50091663

Reduced:

FN6O6C43H47 (1)

Stoich.:

AB6C6D43E47 (1)

Weight, g/mol:

530.269319

ΔHf, kcal/mol:

-234.42

Dipole, Da:

7.59

IP(EA), eV:

 -8.29(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)NC(=O)C6=CC=CC=C6C)OC)F

DOS

IR

Vibrations