Geometry & MOs

Info

ID:	51874
PubChem CID:	12014634
Reduced:	NSO6H15C20 (1)
Stoich.:	ABC6D15E20 (1)
Weight, g/mol:	314.024895
ΔH_f, kcal/mol:	-179.09
Dipole, Da:	4.16
IP(EA), eV:	-9.97(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(5,5-dioxodibenzothiophen-2-yl)-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CC(=O)C1C(C=C(NC1=O)C2=CC3=C(C=C2)S(=O)(=O)C4=CC=CC=C43)C(=O)O

DOS

IR

Vibrations