Geometry & MOs

Info

ID:	247861
PubChem CID:	103077128
Reduced:	ClS2H5N6C8 (1)
Stoich.:	AB2C5D6E8 (1)
Weight, g/mol:	324.000323
ΔH_f, kcal/mol:	146.89
Dipole, Da:	4.47
IP(EA), eV:	-9.72(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC=N2)N=C1Cl)SC3=NC=NS3

DOS

IR

Vibrations