Geometry & MOs

Info

ID:	246662
PubChem CID:	103064535
Reduced:	SN2O2C13H18 (1)
Stoich.:	AB2C2D13E18 (1)
Weight, g/mol:	239.072848
ΔH_f, kcal/mol:	-71.41
Dipole, Da:	3.98
IP(EA), eV:	-8.5(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-(thiolan-3-ylamino)pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=CC=C1)N)NC2CCSC2

DOS

IR

Vibrations