Geometry & MOs

Info

ID:	278135
PubChem CID:	103833655
Reduced:	FSN2O2C13H17 (1)
Stoich.:	ABC2D2E13F17 (1)
Weight, g/mol:	313.134779
ΔH_f, kcal/mol:	-86.36
Dipole, Da:	7.32
IP(EA), eV:	-10.22(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2,3,3-trimethylbutylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

CCC(C)(CC)NS(=O)(=O)C1=CC=CC(=C1C#N)F

DOS

IR

Vibrations