Geometry & MOs

Info

ID:	17499
PubChem CID:	501697
Reduced:	SO2N5H13C17 (1)
Stoich.:	AB2C5D13E17 (1)
Weight, g/mol:	351.078996
ΔH_f, kcal/mol:	70.03
Dipole, Da:	4.18
IP(EA), eV:	-9.56(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-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)CC3=CC=CC=C3)C(=O)C4=CC=NC=C4

DOS

IR

Vibrations