Geometry & MOs

Info

ID:	395893
PubChem CID:	135026850
Reduced:	PSN3O3C14H18 (1)
Stoich.:	ABC3D3E14F18 (1)
Weight, g/mol:	337.065
ΔH_f, kcal/mol:	-64.5
Dipole, Da:	4.15
IP(EA), eV:	-7.91(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-diethoxyphosphoryl-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole

Drug info:

PubChemData

Smile

CCO[P+](C1N=C2N([N]1)C(=CS2)C3=CC=CC=C3)(O)OCC

DOS

IR

Vibrations