Geometry & MOs

Info

ID:	269581
PubChem CID:	103618039
Reduced:	ClN3O3H10C14 (1)
Stoich.:	AB3C3D10E14 (1)
Weight, g/mol:	298.041213
ΔH_f, kcal/mol:	-19.52
Dipole, Da:	3.06
IP(EA), eV:	-9.11(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzothiazol-6-ylcarbamoyl)benzoic acid

Drug info:

PubChemData

Smile

CC1=NN=C(O1)C2=CC=CC=C2NC(=O)C3=CC=C(O3)Cl

DOS

IR

Vibrations