Geometry & MOs

Info

ID:	278621
PubChem CID:	103836693
Reduced:	SN3O3C13H17 (1)
Stoich.:	AB3C3D13E17 (1)
Weight, g/mol:	333.050479
ΔH_f, kcal/mol:	-72.58
Dipole, Da:	4.21
IP(EA), eV:	-9.78(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-fluoro-2-(thian-3-ylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

CC(CN(C)S(=O)(=O)C1=CC=CC=C1C#N)C(=O)NC

DOS

IR

Vibrations