Geometry & MOs

Info

ID:	148
PubChem CID:	2188
Reduced:	ClNS2H4C8O8 (1)
Stoich.:	ABC2D4E8F8 (1)
Weight, g/mol:	340.906686
ΔH_f, kcal/mol:	-221.07
Dipole, Da:	7.75
IP(EA), eV:	-10.66(-3.65)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

4-chloro-5-hydroxy-6-sulfonatooxyindole-1-sulfonate

Drug info:

PubChemData

Smile

C1=CN(C2=CC(=C(C(=C21)Cl)O)OS(=O)(=O)[O-])S(=O)(=O)[O-]

DOS

IR

Vibrations