Geometry & MOs

Info

ID:	348639
PubChem CID:	127273750
Reduced:	S2O3N4C16H18 (1)
Stoich.:	A2B3C4D16E18 (1)
Weight, g/mol:	359.141596
ΔH_f, kcal/mol:	-45.85
Dipole, Da:	8.9
IP(EA), eV:	-9.3(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C2CN(CCO2)CC3=NS(=O)(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations