Geometry & MOs

Info

ID:	285744
PubChem CID:	104124288
Reduced:	SO3N4H10C11 (1)
Stoich.:	AB3C4D10E11 (1)
Weight, g/mol:	261.057198
ΔH_f, kcal/mol:	-60.38
Dipole, Da:	10.78
IP(EA), eV:	-9.78(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-(5-methylpyrimidin-2-yl)sulfanylpyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)SC2=NC(=O)C=C(N2)N)C(=O)O

DOS

IR

Vibrations