Geometry & MOs

Info

ID:	12869
PubChem CID:	147379
Reduced:	SH10O10C15 (1)
Stoich.:	AB10C10D15 (1)
Weight, g/mol:	381.999468
ΔH_f, kcal/mol:	-334.17
Dipole, Da:	10.01
IP(EA), eV:	-9.21(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydroxy-5-(3,4,5-trihydroxy-7-oxochromen-2-yl)benzenesulfonic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1O)O)S(=O)(=O)O)C2=C(C(=C3C(=CC(=O)C=C3O2)O)O)O

DOS

IR

Vibrations