Geometry & MOs

Info

ID:	360439
PubChem CID:	127301084
Reduced:	SO4N5C16H19 (1)
Stoich.:	AB4C5D16E19 (1)
Weight, g/mol:	361.120861
ΔH_f, kcal/mol:	-61.19
Dipole, Da:	9.99
IP(EA), eV:	-9.62(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1CCCOC1)C(=O)C2=CC3=C(C=C2)N4C(=NS3(=O)=O)N=CN4

DOS

IR

Vibrations