Geometry & MOs

Info

ID:	284470
PubChem CID:	104048282
Reduced:	NSO2H7C12 (1)
Stoich.:	ABC2D7E12 (1)
Weight, g/mol:	191.999349
ΔH_f, kcal/mol:	37.29
Dipole, Da:	4.72
IP(EA), eV:	-9.54(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethynylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid

Drug info:

PubChemData

Smile

C#CC1=CSC(=N1)C2=CC(=CC=C2)C(=O)O

DOS

IR

Vibrations