Geometry & MOs

Info

ID:	31144
PubChem CID:	854756
Reduced:	N3O3H9C10 (1)
Stoich.:	A3B3C9D10 (1)
Weight, g/mol:	256.030649
ΔH_f, kcal/mol:	-69.33
Dipole, Da:	6.09
IP(EA), eV:	-9.03(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(NC2=O)C(=O)NN)O

DOS

IR

Vibrations