Geometry & MOs

Info

ID:	246659
PubChem CID:	103064513
Reduced:	FN2O2S2C13H15 (1)
Stoich.:	AB2C2D2E13F15 (1)
Weight, g/mol:	238.077599
ΔH_f, kcal/mol:	-66.38
Dipole, Da:	2.65
IP(EA), eV:	-8.68(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-(thiolan-3-ylamino)benzoic acid

Drug info:

PubChemData

Smile

C1CSCC1NS(=O)(=O)C2=C(C=C(C=C2)F)C#CCN

DOS

IR

Vibrations