Geometry & MOs

Info

ID:	360158
PubChem CID:	127300738
Reduced:	SO4N5C16H19 (1)
Stoich.:	AB4C5D16E19 (1)
Weight, g/mol:	361.120861
ΔH_f, kcal/mol:	-73.23
Dipole, Da:	7.26
IP(EA), eV:	-9.63(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,4-dimethylpiperidin-1-yl)-(5,5-dioxo-1H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazin-7-yl)methanone

Drug info:

PubChemData

Smile

CC(CC1CCCO1)NC(=O)C2=CC3=C(C=C2)N4C(=NS3(=O)=O)N=CN4

DOS

IR

Vibrations