Geometry & MOs

Info

ID:	337144
PubChem CID:	127256709
Reduced:	SO3C15H20 (1)
Stoich.:	AB3C15D20 (1)
Weight, g/mol:	757.99834
ΔH_f, kcal/mol:	-113.07
Dipole, Da:	3.71
IP(EA), eV:	-8.57(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dicarboxy-2,5-dioxidobenzene-1,3-dicarboxylate;2H-thiopyran-1-ium;hydrobromide

Drug info:

PubChemData

Smile

CC(C)(C1CCCC=C1)C(=O)OC2=CC(=CCS2)O

DOS

IR

Vibrations