Geometry & MOs

Info

ID:	348643
PubChem CID:	127273754
Reduced:	SO2N5C16H19 (1)
Stoich.:	AB2C5D16E19 (1)
Weight, g/mol:	374.152495
ΔH_f, kcal/mol:	0.33
Dipole, Da:	9.36
IP(EA), eV:	-9.44(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC=NN2)CC3=NS(=O)(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations