Geometry & MOs

Info

ID:	203707
PubChem CID:	79859366
Reduced:	ClSN2O4C10H13 (1)
Stoich.:	ABC2D4E10F13 (1)
Weight, g/mol:	259.062677
ΔH_f, kcal/mol:	-144.67
Dipole, Da:	6.04
IP(EA), eV:	-9.19(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[methyl(2-methylsulfonylethyl)amino]pyrazine-2-carboxylic acid

Drug info:

PubChemData

Smile

CN(CCS(=O)(=O)C)C1=C(C=C(C=N1)C(=O)O)Cl

DOS

IR

Vibrations