Geometry & MOs

Info

ID:	31924
PubChem CID:	3723582
Reduced:	FS2O4H11C14 (1)
Stoich.:	AB2C4D11E14 (1)
Weight, g/mol:	279.061238
ΔH_f, kcal/mol:	-156.72
Dipole, Da:	4.81
IP(EA), eV:	-9.47(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-N-propyl-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C2=C(C1OC(=O)C3=CC=C(C=C3)F)C=CS2

DOS

IR

Vibrations