Geometry & MOs

Info

ID:	359603
PubChem CID:	127298877
Reduced:	SO4N5C13H13 (1)
Stoich.:	AB4C5D13E13 (1)
Weight, g/mol:	390.14741
ΔH_f, kcal/mol:	-47.38
Dipole, Da:	8.63
IP(EA), eV:	-9.6(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-dioxo-N-(1-propylpiperidin-4-yl)-1H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-7-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2=CC3=C(C=C2)N4C(=NS3(=O)=O)N=CN4

DOS

IR

Vibrations