Geometry & MOs

Info

ID:	237970
PubChem CID:	92723326
Reduced:	SF3N3O3C20H20 (1)
Stoich.:	AB3C3D3E20F20 (1)
Weight, g/mol:	439.117747
ΔH_f, kcal/mol:	-235.09
Dipole, Da:	2.2
IP(EA), eV:	-9.44(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1,1-dioxo-6-(trifluoromethyl)-4H-1lambda6,2,4-benzothiadiazin-3-yl]-N-[(2S)-2-phenylpropyl]propanamide

Drug info:

PubChemData

Smile

C[C@@H](CNC(=O)CCC1=NS(=O)(=O)C2=C(N1)C=C(C=C2)C(F)(F)F)C3=CC=CC=C3

DOS

IR

Vibrations