Geometry & MOs

Info

ID:	165623
PubChem CID:	74577566
Reduced:	SF3O4N5H19C21 (1)
Stoich.:	AB3C4D5E19F21 (1)
Weight, g/mol:	493.10316
ΔH_f, kcal/mol:	-152.81
Dipole, Da:	4.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.981790
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[NH+]1CC(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