Geometry & MOs

Info

ID:	336886
PubChem CID:	127255893
Reduced:	NNaSO4C12H12 (1)
Stoich.:	ABCD4E12F12 (1)
Weight, g/mol:	267.056529
ΔH_f, kcal/mol:	-186.41
Dipole, Da:	11.73
IP(EA), eV:	-9.61(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-3-quinolin-6-ylpropane-1-sulfonic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=C2)CCC(O)S(=O)(=O)[O-])N=C1.[Na+]

DOS

IR

Vibrations