Geometry & MOs

Info

ID:	247845
PubChem CID:	103077048
Reduced:	ClSN4C8H9 (1)
Stoich.:	ABC4D8E9 (1)
Weight, g/mol:	283.970564
ΔH_f, kcal/mol:	74.39
Dipole, Da:	5.76
IP(EA), eV:	-9.27(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

CCSC1=C(C(=NC2=NC=NN12)Cl)C

DOS

IR

Vibrations