Geometry & MOs

Info

ID:	51872
PubChem CID:	12014632
Reduced:	NSO6H11C19 (1)
Stoich.:	ABC6D11E19 (1)
Weight, g/mol:	427.072573
ΔH_f, kcal/mol:	-125.83
Dipole, Da:	2.95
IP(EA), eV:	-9.89(-1.71)
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-dihydro-1H-pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(S2(=O)=O)C=CC(=C3)C4=CC(C(C(=O)O4)C#N)C(=O)O

DOS

IR

Vibrations