Geometry & MOs

Info

ID:	396100
PubChem CID:	135027383
Reduced:	ClPSN3O3C15H17 (1)
Stoich.:	ABCD3E3F15G17 (1)
Weight, g/mol:	365.0963
ΔH_f, kcal/mol:	-108.3
Dipole, Da:	3.95
IP(EA), eV:	-9.2(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-diethoxyphosphoryl-6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole

Drug info:

PubChemData

Smile

CCOP(=O)(C1=C(N2C(=NC(=N2)C3=CC=C(C=C3)Cl)S1)C)OCC

DOS

IR

Vibrations