Geometry & MOs

Info

ID:	166897
PubChem CID:	74751117
Reduced:	FSN3O3C25H29 (1)
Stoich.:	ABC3D3E25F29 (1)
Weight, g/mol:	432.20873
ΔH_f, kcal/mol:	-70.9
Dipole, Da:	6.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.470127
Charge, e:	1

Chem-info

IUPAC name:

1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1[NH+]2CCN(CC2)C(=O)CCC3=C(NC4=CC=CC=C43)C5=CC=C(C=C5)F

DOS

IR

Vibrations