Geometry & MOs

Info

ID:	12296
PubChem CID:	134269
Reduced:	NaSO9H13C15 (1)
Stoich.:	ABC9D13E15 (1)
Weight, g/mol:	392.017797
ΔH_f, kcal/mol:	-395.49
Dipole, Da:	9.79
IP(EA), eV:	-8.49(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;(2S,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydrochromene-2-sulfonate

Drug info:

PubChemData

Smile

C1[C@H]([C@](OC2=CC(=CC(=C21)O)O)(C3=CC(=C(C=C3)O)O)S(=O)(=O)[O-])O.[Na+]

DOS

IR

Vibrations