Geometry & MOs

Info

ID:	278128
PubChem CID:	103833631
Reduced:	FS2N3O4C11H14 (1)
Stoich.:	AB2C3D4E11F14 (1)
Weight, g/mol:	319.054815
ΔH_f, kcal/mol:	-147.48
Dipole, Da:	5.09
IP(EA), eV:	-10.17(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-ethylsulfinylethylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

CCNS(=O)(=O)CCNS(=O)(=O)C1=CC=CC(=C1C#N)F

DOS

IR

Vibrations