Geometry & MOs

Info

ID:	37916
PubChem CID:	8025546
Reduced:	ON4C15H20 (1)
Stoich.:	AB4C15D20 (1)
Weight, g/mol:	403.130323
ΔH_f, kcal/mol:	9.48
Dipole, Da:	1.99
IP(EA), eV:	-9.47(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-(trifluoromethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@H]1NC(=O)CN2C3=CC=CC=C3N=N2

DOS

IR

Vibrations