Geometry & MOs

Info

ID:	246765
PubChem CID:	103064838
Reduced:	SO2N3C9H11 (1)
Stoich.:	AB2C3D9E11 (1)
Weight, g/mol:	241.057278
ΔH_f, kcal/mol:	-48.35
Dipole, Da:	3.64
IP(EA), eV:	-8.86(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-4-(thiolan-3-ylamino)benzoic acid

Drug info:

PubChemData

Smile

C1CSCC1NC2=NC=CN=C2C(=O)O

DOS

IR

Vibrations