Geometry & MOs

Info

ID:	246773
PubChem CID:	103064853
Reduced:	NSO3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	238.077599
ΔH_f, kcal/mol:	-112.42
Dipole, Da:	5.15
IP(EA), eV:	-8.88(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)O)NC2CCSC2

DOS

IR

Vibrations