Geometry & MOs

Info

ID:	359605
PubChem CID:	127298879
Reduced:	SO4N5C15H17 (1)
Stoich.:	AB4C5D15E17 (1)
Weight, g/mol:	390.14741
ΔH_f, kcal/mol:	-66.37
Dipole, Da:	5.03
IP(EA), eV:	-9.79(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-methylpiperidin-1-yl)ethyl]-5,5-dioxo-1H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-7-carboxamide

Drug info:

PubChemData

Smile

CC(C1CCCO1)NC(=O)C2=CC3=C(C=C2)N4C(=NS3(=O)=O)N=CN4

DOS

IR

Vibrations