Geometry & MOs

Info

ID:	247846
PubChem CID:	103077070
Reduced:	ClS2H5N6C8 (1)
Stoich.:	AB2C5D6E8 (1)
Weight, g/mol:	272.013474
ΔH_f, kcal/mol:	153.32
Dipole, Da:	6.73
IP(EA), eV:	-9.68(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC=N2)N=C1Cl)SC3=NN=CS3

DOS

IR

Vibrations