Geometry & MOs

Info

ID:	247856
PubChem CID:	103077111
Reduced:	ClOSN4C10H13 (1)
Stoich.:	ABCD4E10F13 (1)
Weight, g/mol:	320.061093
ΔH_f, kcal/mol:	34.3
Dipole, Da:	6.6
IP(EA), eV:	-9.22(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations