Geometry & MOs

Info

ID:	289464
PubChem CID:	104356038
Reduced:	SN2O6C12H14 (1)
Stoich.:	AB2C6D12E14 (1)
Weight, g/mol:	409.87974
ΔH_f, kcal/mol:	-135.49
Dipole, Da:	3.36
IP(EA), eV:	-9.94(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-chloro-5-(1,3-thiazol-4-ylmethylsulfamoyl)benzoic acid

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)N2CCCC2

DOS

IR

Vibrations