Geometry & MOs

Info

ID:	246771
PubChem CID:	103064850
Reduced:	SO2N3C13H19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	257.027728
ΔH_f, kcal/mol:	-67.38
Dipole, Da:	2.49
IP(EA), eV:	-8.75(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(thiolan-3-ylamino)benzoic acid

Drug info:

PubChemData

Smile

CCC1=C(N=NC(=C1C(=O)O)NC2CCSC2)CC

DOS

IR

Vibrations