Geometry & MOs

Info

ID:	307910
PubChem CID:	125310714
Reduced:	O3N4C15H16 (1)
Stoich.:	A3B4C15D16 (1)
Weight, g/mol:	273.020812
ΔH_f, kcal/mol:	-17.32
Dipole, Da:	4.64
IP(EA), eV:	-9.29(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-7-oxo-3-pyridin-2-yl-6H-[1,2]thiazolo[4,5-b]pyridine-6-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1C(=C(N=N1)O)[C@H](C2=CC(=CC=C2)O)C3=C(NNC3=O)C

DOS

IR

Vibrations