Geometry & MOs

Info

ID:	247851
PubChem CID:	103077091
Reduced:	ClSH7N8C11 (1)
Stoich.:	ABC7D8E11 (1)
Weight, g/mol:	309.984673
ΔH_f, kcal/mol:	169.11
Dipole, Da:	6.31
IP(EA), eV:	-9.74(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-7-(3-chlorophenyl)sulfanyl-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC=N2)N=C1Cl)SC3=NC=NC4=C3NC=N4

DOS

IR

Vibrations