Geometry & MOs

Info

ID:	244906
PubChem CID:	99431569
Reduced:	SF3N3O4C23H24 (1)
Stoich.:	AB3C3D4E23F24 (1)
Weight, g/mol:	433.161326
ΔH_f, kcal/mol:	-256.16
Dipole, Da:	7.73
IP(EA), eV:	-9.52(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]propanamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCC[C@@](C2=CC=CC=C2)(C(F)(F)F)O)S(=O)(=O)C3=CC=CC=C3C#N

DOS

IR

Vibrations