Geometry & MOs

Info

ID:	67985
PubChem CID:	46507547
Reduced:	FSN2O4H21C23 (1)
Stoich.:	ABC2D4E21F23 (1)
Weight, g/mol:	440.120607
ΔH_f, kcal/mol:	-135.42
Dipole, Da:	4.41
IP(EA), eV:	-9.06(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

DOS

IR

Vibrations