Geometry & MOs

Info

ID:	5891
PubChem CID:	13962
Reduced:	NaSH3C5O5 (2)
Stoich.:	ABC3D5E5 (2)
Weight, g/mol:	395.919777
ΔH_f, kcal/mol:	-534.85
Dipole, Da:	3.86
IP(EA), eV:	-9.1(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

disodium;(4-methyl-2-oxo-6-sulfonatooxychromen-7-yl) sulfate

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=CC(=C(C=C12)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+]

DOS

IR

Vibrations