Geometry & MOs

Info

ID:	371829
PubChem CID:	131273859
Reduced:	FNOSH10C12 (1)
Stoich.:	ABCDE10F12 (1)
Weight, g/mol:	222.021147
ΔH_f, kcal/mol:	-49.47
Dipole, Da:	0.92
IP(EA), eV:	-8.58(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-(1,2,4-triazin-5-yl)-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)C1=C(SC(=C1)C2=CC=C(C=C2)F)N

DOS

IR

Vibrations