Geometry & MOs

Info

ID:	348642
PubChem CID:	127273753
Reduced:	SO2N5C17H21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	345.125946
ΔH_f, kcal/mol:	-4.64
Dipole, Da:	10.42
IP(EA), eV:	-9.43(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2CCN(CC2)CC3=NS(=O)(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations