Geometry & MOs

Info

ID:	387836
PubChem CID:	134987089
Reduced:	ISN2C10H11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	265.004494
ΔH_f, kcal/mol:	80.26
Dipole, Da:	3.2
IP(EA), eV:	-8.17(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-8-sulfanylidene-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid

Drug info:

PubChemData

Smile

C[N+]1=NC2=CC=CC=C2C(=C1)SC.[I-]

DOS

IR

Vibrations