Geometry & MOs

Info

ID:	314860
PubChem CID:	126623803
Reduced:	ClF2N2O2C13H15 (1)
Stoich.:	AB2C2D2E13F15 (1)
Weight, g/mol:	285.048046
ΔH_f, kcal/mol:	-175.17
Dipole, Da:	5.9
IP(EA), eV:	-9.72(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-2-fluorophenyl)-5-[(2S,4R)-4-fluoropyrrolidin-2-yl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1[C@H](CN[C@@H]1CN(CC2=C(C(=CC=C2)Cl)F)C(=O)O)F

DOS

IR

Vibrations