Geometry & MOs

Info

ID:	236377
PubChem CID:	92712589
Reduced:	ClFN2O3H18C19 (1)
Stoich.:	ABC2D3E18F19 (1)
Weight, g/mol:	324.147393
ΔH_f, kcal/mol:	-111.72
Dipole, Da:	2.46
IP(EA), eV:	-9.02(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-5-[(2-methylphenoxy)methyl]-2-(4-methylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)OCC2=NN([C@](O2)(C)C3=CC=C(C=C3)F)C(=O)C

DOS

IR

Vibrations