Geometry & MOs

Info

ID:	261805
PubChem CID:	103252286
Reduced:	ClSO2N3C12H14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	313.02879
ΔH_f, kcal/mol:	-33.41
Dipole, Da:	3.85
IP(EA), eV:	-9.05(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]methyl]oxolane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC(C(=O)O)NC1=C(C=CC2=NSN=C21)Cl

DOS

IR

Vibrations