Geometry & MOs

Info

ID:	278107
PubChem CID:	103833415
Reduced:	FSN2O5C12H15 (1)
Stoich.:	ABC2D5E12F15 (1)
Weight, g/mol:	307.034828
ΔH_f, kcal/mol:	-227.92
Dipole, Da:	7.25
IP(EA), eV:	-9.77(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-fluoro-2-(2-methylsulfanylethylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

CC(=O)NCCNS(=O)(=O)C1=C(C=CC(=C1)F)C(=O)OC

DOS

IR

Vibrations