Geometry & MOs

Info

ID:	67945
PubChem CID:	46507486
Reduced:	SN2O5H20C23 (1)
Stoich.:	AB2C5D20E23 (1)
Weight, g/mol:	426.104956
ΔH_f, kcal/mol:	-116.07
Dipole, Da:	4.16
IP(EA), eV:	-8.96(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methylphenyl)-1,1-dioxo-1lambda6,2,4-benzothiadiazin-3-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C(=O)N(C3=CC=CC=C3S2(=O)=O)CC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations