Geometry & MOs

Info

ID:	7951
PubChem CID:	74521
Reduced:	SN2F3O3C10H11 (1)
Stoich.:	AB2C3D3E10F11 (1)
Weight, g/mol:	296.044248
ΔH_f, kcal/mol:	-255.6
Dipole, Da:	8.03
IP(EA), eV:	-9.52(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,1-dioxo-7-(trifluoromethyl)-2,3-dihydro-1lambda6,2,4-benzothiadiazin-4-yl]ethanol

Drug info:

PubChemData

Smile

C1NS(=O)(=O)C2=C(N1CCO)C=CC(=C2)C(F)(F)F

DOS

IR

Vibrations