Geometry & MOs

Info

ID:	348598
PubChem CID:	127273709
Reduced:	SO3N5C16H21 (1)
Stoich.:	AB3C5D16E21 (1)
Weight, g/mol:	359.141596
ΔH_f, kcal/mol:	-75.6
Dipole, Da:	11.39
IP(EA), eV:	-9.31(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1N2CCNC2=O)CC3=NS(=O)(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations