Geometry & MOs

Info

ID:	67980
PubChem CID:	46507540
Reduced:	SF2N2O4H18C22 (1)
Stoich.:	AB2C2D4E18F22 (1)
Weight, g/mol:	426.104956
ΔH_f, kcal/mol:	-178.38
Dipole, Da:	5.83
IP(EA), eV:	-9.16(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=O)N(C3=CC=CC=C3S2(=O)=O)CC4=CC(=C(C=C4)OC)F)F

DOS

IR

Vibrations