Geometry & MOs

Info

ID:	246767
PubChem CID:	103064840
Reduced:	SO2N3C11H15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	241.057278
ΔH_f, kcal/mol:	-60.68
Dipole, Da:	2.63
IP(EA), eV:	-8.77(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-6-(thiolan-3-ylamino)benzoic acid

Drug info:

PubChemData

Smile

CC1=C(N=NC(=C1C(=O)O)NC2CCSC2)C

DOS

IR

Vibrations