Geometry & MOs

Info

ID:	278137
PubChem CID:	103833667
Reduced:	NS2O5C12H17 (1)
Stoich.:	AB2C5D12E17 (1)
Weight, g/mol:	337.045393
ΔH_f, kcal/mol:	-163.86
Dipole, Da:	4.97
IP(EA), eV:	-8.19(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-fluoro-2-(3-methylsulfinylpropylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1S(=O)(=O)NCCCS(=O)C

DOS

IR

Vibrations