Geometry & MOs

Info

ID:	67979
PubChem CID:	46507539
Reduced:	FSN2O4H21C23 (1)
Stoich.:	ABC2D4E21F23 (1)
Weight, g/mol:	444.095535
ΔH_f, kcal/mol:	-141.33
Dipole, Da:	4.09
IP(EA), eV:	-9.03(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations