Geometry & MOs

Info

ID:	51873
PubChem CID:	12014633
Reduced:	NSO7H17C21 (1)
Stoich.:	ABC7D17E21 (1)
Weight, g/mol:	397.062008
ΔH_f, kcal/mol:	-224.58
Dipole, Da:	10.65
IP(EA), eV:	-9.87(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-6-(5,5-dioxodibenzothiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations