Geometry & MOs

Info

ID:	195568
PubChem CID:	78702406
Reduced:	ClFN2O4C17H18 (1)
Stoich.:	ABC2D4E17F18 (1)
Weight, g/mol:	301.083316
ΔH_f, kcal/mol:	-168.26
Dipole, Da:	5.92
IP(EA), eV:	-9.27(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(2-thiophen-2-ylpyrrolidin-1-ium-1-yl)methyl]-1,3-benzothiazole

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CCC(=O)OC(C)C(=O)NC2=CC(=C(C=C2)F)Cl

DOS

IR

Vibrations