Geometry & MOs

Info

ID:	285442
PubChem CID:	104105257
Reduced:	NSF2O5C12H15 (1)
Stoich.:	ABC2D5E12F15 (1)
Weight, g/mol:	382.98383
ΔH_f, kcal/mol:	-296.78
Dipole, Da:	5.29
IP(EA), eV:	-10.36(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-fluoro-3-(4-hydroxypentan-2-ylsulfamoyl)benzoic acid

Drug info:

PubChemData

Smile

CC(CC(C)O)NS(=O)(=O)C1=C(C(=C(C=C1)F)C(=O)O)F

DOS

IR

Vibrations