Geometry & MOs

Info

ID:	247848
PubChem CID:	103077084
Reduced:	ClSN4C7H7 (1)
Stoich.:	ABC4D7E7 (1)
Weight, g/mol:	282.975315
ΔH_f, kcal/mol:	81.78
Dipole, Da:	5.37
IP(EA), eV:	-9.32(-1.55)
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-thiazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations