Geometry & MOs

Info

ID:	165624
PubChem CID:	74577567
Reduced:	SF3O4N5H18C21 (1)
Stoich.:	AB3C4D5E18F21 (1)
Weight, g/mol:	376.144336
ΔH_f, kcal/mol:	-171.42
Dipole, Da:	6.87
IP(EA), eV:	-9.46(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-cyano-N-[1-methyl-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-ium-3-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CN1CC(CC1C2=NC(=NO2)C3=CC=C(C=C3)OC(F)(F)F)NS(=O)(=O)C4=CC=C(C=C4)C#N

DOS

IR

Vibrations