Geometry & MOs

Info

ID:	246761
PubChem CID:	103064832
Reduced:	OSN3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	257.027728
ΔH_f, kcal/mol:	-13.31
Dipole, Da:	2.71
IP(EA), eV:	-8.28(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=NC2=C(N1C3CCSC3)C=CC(=C2)N)O

DOS

IR

Vibrations