Geometry & MOs

Info

ID:	11311
PubChem CID:	113708
Reduced:	SN2O8C17H18 (1)
Stoich.:	AB2C8D17E18 (1)
Weight, g/mol:	410.078387
ΔH_f, kcal/mol:	-292.89
Dipole, Da:	9.46
IP(EA), eV:	-9.27(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-hydroxy-7-[(2-hydroxy-2-phenylacetyl)amino]quinoline-5-sulfonic acid;dihydrate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C(=O)NC2=CC(=C3C=CC=NC3=C2O)S(=O)(=O)O)O.O.O

DOS

IR

Vibrations