Geometry & MOs

Info

ID:	1582
PubChem CID:	4726
Reduced:	S2F3N3O4C13H18 (1)
Stoich.:	A2B3C3D4E13F18 (1)
Weight, g/mol:	401.069083
ΔH_f, kcal/mol:	-309.31
Dipole, Da:	9.86
IP(EA), eV:	-9.93(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dioxo-3-pentyl-6-(trifluoromethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide

Drug info:

PubChemData

Smile

CCCCCC1NC2=C(C=C(C(=C2)C(F)(F)F)S(=O)(=O)N)S(=O)(=O)N1

DOS

IR

Vibrations