Geometry & MOs

Info

ID:	438088
PubChem CID:	135227659
Reduced:	O2N3C22H23 (1)
Stoich.:	A2B3C22D23 (1)
Weight, g/mol:	231.020144
ΔH_f, kcal/mol:	25.71
Dipole, Da:	3.97
IP(EA), eV:	-8.45(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethylsulfonyl-6-oxo-1H-pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N=C(C2=CC=CC=C2C3=CC=CC=C3OC)NN

DOS

IR

Vibrations