Geometry & MOs

Info

ID:	26574
PubChem CID:	653082
Reduced:	FS2N3O5C20H20 (1)
Stoich.:	AB2C3D5E20F20 (1)
Weight, g/mol:	335.003448
ΔH_f, kcal/mol:	-158.35
Dipole, Da:	7.24
IP(EA), eV:	-9.22(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)benzoic acid

Drug info:

PubChemData

Smile

C1=COC(=C1)CNC(=O)CN(CC2=CC=CS2)C(=O)CNS(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations