Geometry & MOs

Info

ID:	148859
PubChem CID:	53788528
Reduced:	ClNSO5C8H10 (1)
Stoich.:	ABCD5E8F10 (1)
Weight, g/mol:	310.110413
ΔH_f, kcal/mol:	-188.77
Dipole, Da:	1.41
IP(EA), eV:	-10.62(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-amino-9-fluoro-2-(6-methylpyridin-3-yl)-1H-triazolo[1,5-a]quinolin-10-ium-3-one

Drug info:

PubChemData

Smile

CC(=O)C(OC1CS(=O)(=O)[C@@H]2N1C(=O)C2)Cl

DOS

IR

Vibrations