Geometry & MOs

Info

ID:	79671
PubChem CID:	49829926
Reduced:	FN2S2O3C20H23 (1)
Stoich.:	AB2C2D3E20F23 (1)
Weight, g/mol:	406.22613
ΔH_f, kcal/mol:	-133.05
Dipole, Da:	5.24
IP(EA), eV:	-8.4(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CSCCC(C(=O)NC1=CC2=C(CCC2)C=C1)NS(=O)(=O)C3=CC=CC=C3F

DOS

IR

Vibrations