Geometry & MOs

Info

ID:	150
PubChem CID:	2191
Reduced:	ClNSO5H6C8 (1)
Stoich.:	ABCD5E6F8 (1)
Weight, g/mol:	262.965521
ΔH_f, kcal/mol:	-169.06
Dipole, Da:	2.37
IP(EA), eV:	-8.87(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5,6-dihydroxyindole-1-sulfonic acid

Drug info:

PubChemData

Smile

C1=CN(C2=CC(=C(C(=C21)Cl)O)O)S(=O)(=O)O

DOS

IR

Vibrations