Geometry & MOs

Info

ID:	337148
PubChem CID:	127256713
Reduced:	NH5C8O10 (1)
Stoich.:	AB5C8D10 (1)
Weight, g/mol:	798.069989
ΔH_f, kcal/mol:	-392.05
Dipole, Da:	2.02
IP(EA), eV:	-12.37(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-diacetyloxybenzene-1,2,4,5-tetracarboxylate;2H-thiopyran-1-ium;hydrochloride

Drug info:

PubChemData

Smile

C1(C(=O)N(C(=O)C1(C(=O)O)C(=O)O)C(=O)O)C(=O)O

DOS

IR

Vibrations