Geometry & MOs

Info

ID:	67983
PubChem CID:	46507544
Reduced:	SN2O6H18C22 (1)
Stoich.:	AB2C6D18E22 (1)
Weight, g/mol:	440.084221
ΔH_f, kcal/mol:	-139.91
Dipole, Da:	4.79
IP(EA), eV:	-8.84(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzodioxol-5-ylmethyl)-2-(3-fluoro-4-methylphenyl)-1,1-dioxo-1lambda6,2,4-benzothiadiazin-3-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2C(=O)N(C3=CC=CC=C3S2(=O)=O)CC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations