Geometry & MOs

Info

ID:	64415
PubChem CID:	29200214
Reduced:	Br2N4O5H10C16 (1)
Stoich.:	A2B4C5D10E16 (1)
Weight, g/mol:	348.04543
ΔH_f, kcal/mol:	-34.95
Dipole, Da:	9.64
IP(EA), eV:	-9.77(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[(1,1-dioxo-1,2-benzothiazol-2-id-3-ylidene)amino]oxy-N-(4-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NN2)C(=O)OCC(=O)NC3=C(C=C(C=C3Br)[N+](=O)[O-])Br

DOS

IR

Vibrations