Geometry & MOs

Info

ID:	246762
PubChem CID:	103064835
Reduced:	ClNSO2C11H12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	252.093249
ΔH_f, kcal/mol:	-78.16
Dipole, Da:	6.4
IP(EA), eV:	-9.11(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(thiolan-3-ylamino)pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CSCC1NC2=CC(=C(C=C2)C(=O)O)Cl

DOS

IR

Vibrations