Geometry & MOs

Info

ID:

99149

PubChem CID:

50048692

Reduced:

F4O4N5C35H37 (1)

Stoich.:

A4B4C5D35E37 (1)

Weight, g/mol:

653.281361

ΔHf, kcal/mol:

-335.8

Dipole, Da:

12.35

IP(EA), eV:

 -8.69(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[(2-fluorophenyl)carbamoyl]-6-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)C(F)(F)F

DOS

IR

Vibrations