Geometry & MOs

Info

ID:	10497
PubChem CID:	103192
Reduced:	N2S2O5H14C25 (1)
Stoich.:	A2B2C5D14E25 (1)
Weight, g/mol:	486.034414
ΔH_f, kcal/mol:	-56.32
Dipole, Da:	1.57
IP(EA), eV:	-9.25(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1,3-dioxoinden-2-yl)quinolin-6-yl]-1,3-benzothiazole-7-sulfonic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C(C2=O)C3=NC4=C(C=C3)C=C(C=C4)C5=NC6=C(S5)C(=CC=C6)S(=O)(=O)O

DOS

IR

Vibrations