Geometry & MOs

Info

ID:	140890
PubChem CID:	52777817
Reduced:	FN2S2O3H17C18 (1)
Stoich.:	AB2C2D3E17F18 (1)
Weight, g/mol:	383.233468
ΔH_f, kcal/mol:	-119.87
Dipole, Da:	8.07
IP(EA), eV:	-8.93(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[[(2R)-1-benzylpiperidin-1-ium-2-yl]methyl]-3-(2-methoxyethoxy)benzamide

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)NC(=O)C2=C(C3=C(C=CC=C3S2)F)C)S(=O)(=O)N

DOS

IR

Vibrations