Geometry & MOs

Info

ID:	165541
PubChem CID:	74562593
Reduced:	FSN2O5H11C19 (1)
Stoich.:	ABC2D5E11F19 (1)
Weight, g/mol:	401.226274
ΔH_f, kcal/mol:	-81.64
Dipole, Da:	11.64
IP(EA), eV:	-8.51(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(1-naphthalen-2-ylsulfonyl-3-piperidin-1-ium-1-ylpropan-2-yl)piperidine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=C2C(=NC(=S)N(C2=O)C3=CC=C(C=C3)F)[O-])OCC(=O)[O-]

DOS

IR

Vibrations