Geometry & MOs

Info

ID:	396101
PubChem CID:	135027384
Reduced:	PSN3O3C16H20 (1)
Stoich.:	ABC3D3E16F20 (1)
Weight, g/mol:	337.065
ΔH_f, kcal/mol:	-109.52
Dipole, Da:	1.93
IP(EA), eV:	-8.95(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-diethoxyphosphoryl-6-phenyl-[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)C)S1)C)OCC

DOS

IR

Vibrations