Geometry & MOs

Info

ID:	396099
PubChem CID:	135027382
Reduced:	ClPSN3O3C14H15 (1)
Stoich.:	ABCD3E3F14G15 (1)
Weight, g/mol:	385.041677
ΔH_f, kcal/mol:	-94.47
Dipole, Da:	4.04
IP(EA), eV:	-9.29(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations