Geometry & MOs

Info

ID:	137693
PubChem CID:	52245421
Reduced:	ClSN3O3C19H30 (1)
Stoich.:	ABC3D3E19F30 (1)
Weight, g/mol:	299.132644
ΔH_f, kcal/mol:	-136.05
Dipole, Da:	7.19
IP(EA), eV:	-8.72(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-chloro-2-fluoro-N-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethyl]benzamide

Drug info:

PubChemData

Smile

C[C@H]1CCCCN1CCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C(C)C)Cl

DOS

IR

Vibrations