Geometry & MOs

Info

ID:	167350
PubChem CID:	74812792
Reduced:	SO2N4C22H27 (1)
Stoich.:	AB2C4D22E27 (1)
Weight, g/mol:	406.19308
ΔH_f, kcal/mol:	29.62
Dipole, Da:	4.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.086970
Charge, e:	1

Chem-info

IUPAC name:

1-[(3-fluorophenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-2-carboxamide

Drug info:

PubChemData

Smile

C1C(C(NN1)C2=CC=CC3=CC=CC=C32)C[NH2+]CCC4=CC=C(C=C4)S(=O)(=O)N

DOS

IR

Vibrations