Geometry & MOs

Info

ID:	21824
PubChem CID:	591726
Reduced:	NOSC9H9 (1)
Stoich.:	ABCD9E9 (1)
Weight, g/mol:	179.040485
ΔH_f, kcal/mol:	-1.81
Dipole, Da:	7.52
IP(EA), eV:	-7.93(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-[1,3]thiazolo[3,2-a]pyridin-4-ium-8-olate

Drug info:

PubChemData

Smile

CC1=[N+]2C=C(SC2=C(C=C1)[O-])C

DOS

IR

Vibrations