Geometry & MOs

Info

ID:	67984
PubChem CID:	46507545
Reduced:	FSN2O5H17C22 (1)
Stoich.:	ABC2D5E17F22 (1)
Weight, g/mol:	440.120607
ΔH_f, kcal/mol:	-158.35
Dipole, Da:	4.92
IP(EA), eV:	-8.97(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethylphenyl)-4-[(3-fluoro-4-methoxyphenyl)methyl]-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=CC5=C(C=C4)OCO5)F

DOS

IR

Vibrations