Geometry & MOs

Info

ID:	280197
PubChem CID:	103847498
Reduced:	FSN3O4H8C10 (1)
Stoich.:	ABC3D4E8F10 (1)
Weight, g/mol:	289.078407
ΔH_f, kcal/mol:	-149.15
Dipole, Da:	3.34
IP(EA), eV:	-9.85(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-(3-methylbutylsulfonylamino)benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NS(=O)(=O)C2=CN=CN2)F)C(=O)O

DOS

IR

Vibrations