Geometry & MOs

Info

ID:	244907
PubChem CID:	99431570
Reduced:	F3N3O3C22H22 (1)
Stoich.:	A3B3C3D22E22 (1)
Weight, g/mol:	433.161326
ΔH_f, kcal/mol:	-199.81
Dipole, Da:	6.33
IP(EA), eV:	-9.4(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NCC[C@@](C3=CC=CC=C3)(C(F)(F)F)O

DOS

IR

Vibrations