Geometry & MOs

Info

ID:	278121
PubChem CID:	103833574
Reduced:	FNSO4C13H18 (1)
Stoich.:	ABCD4E13F18 (1)
Weight, g/mol:	333.050479
ΔH_f, kcal/mol:	-198.52
Dipole, Da:	3.97
IP(EA), eV:	-9.54(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-fluoro-2-(thian-4-ylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

CCN(C(C)C)S(=O)(=O)C1=C(C=CC(=C1)F)C(=O)OC

DOS

IR

Vibrations