Geometry & MOs

Info

ID:	39168
PubChem CID:	8139851
Reduced:	ClSN3O5H14C17 (1)
Stoich.:	ABC3D5E14F17 (1)
Weight, g/mol:	405.07947
ΔH_f, kcal/mol:	-80.77
Dipole, Da:	2.14
IP(EA), eV:	-9.81(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 3-(methylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC2=NC(=NO2)C3=CC=CC=C3Cl

DOS

IR

Vibrations