Geometry & MOs

Info

ID:	51870
PubChem CID:	12014630
Reduced:	SO6H18C26 (1)
Stoich.:	AB6C18D26 (1)
Weight, g/mol:	428.056589
ΔH_f, kcal/mol:	-138.08
Dipole, Da:	2.02
IP(EA), eV:	-9.9(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(5,5-dioxodibenzothiophen-2-yl)-3-ethoxycarbonyl-2-oxo-3,4-dihydropyran-4-carboxylic acid

Drug info:

PubChemData

Smile

C1C(C(C(=O)C=C1C2=CC3=C(C=C2)S(=O)(=O)C4=CC=CC=C43)C(=O)C5=CC=CC=C5)C(=O)O

DOS

IR

Vibrations