Geometry & MOs

Info

ID:	249683
PubChem CID:	103091353
Reduced:	BrNS2O5C11H14 (1)
Stoich.:	ABC2D5E11F14 (1)
Weight, g/mol:	317.073322
ΔH_f, kcal/mol:	-174.7
Dipole, Da:	7.96
IP(EA), eV:	-9.65(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-5-[(3-methoxycyclopentyl)sulfamoyl]benzoic acid

Drug info:

PubChemData

Smile

COC1CCC(C1)NS(=O)(=O)C2=C(SC(=C2)C(=O)O)Br

DOS

IR

Vibrations