Geometry & MOs

Info

ID:	247860
PubChem CID:	103077125
Reduced:	ClSN5C10H14 (1)
Stoich.:	ABC5D10E14 (1)
Weight, g/mol:	283.970564
ΔH_f, kcal/mol:	81.95
Dipole, Da:	6.6
IP(EA), eV:	-8.97(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC=N2)N=C1Cl)SCCN(C)C

DOS

IR

Vibrations