Geometry & MOs

Info

ID:	17500
PubChem CID:	501698
Reduced:	SO3N5H13C17 (1)
Stoich.:	AB3C5D13E17 (1)
Weight, g/mol:	367.07391
ΔH_f, kcal/mol:	41.25
Dipole, Da:	3.35
IP(EA), eV:	-9.21(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(phenoxymethyl)-5-(pyridine-4-carbonyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-one

Drug info:

PubChemData

Smile

C1C(=O)N(N2C(=NN=C2S1)COC3=CC=CC=C3)C(=O)C4=CC=NC=C4

DOS

IR

Vibrations