Geometry & MOs

Info

ID:	247847
PubChem CID:	103077081
Reduced:	ClSO2N4C9H9 (1)
Stoich.:	ABC2D4E9F9 (1)
Weight, g/mol:	214.007995
ΔH_f, kcal/mol:	-3.65
Dipole, Da:	5.83
IP(EA), eV:	-9.52(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-6-methyl-7-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC=N2)N=C1Cl)SCC(=O)OC

DOS

IR

Vibrations