Geometry & MOs

Info

ID:	315602
PubChem CID:	126628082
Reduced:	ON5C12H13 (1)
Stoich.:	AB5C12D13 (1)
Weight, g/mol:	234.009913
ΔH_f, kcal/mol:	25.02
Dipole, Da:	5.22
IP(EA), eV:	-9.02(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxyimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(N=C(C=C1)NC2=C(N=NC=C2)C(=O)N)C

DOS

IR

Vibrations