Geometry & MOs

Info

ID:	37468
PubChem CID:	8021390
Reduced:	FNO4C16H18 (1)
Stoich.:	ABC4D16E18 (1)
Weight, g/mol:	324.09102
ΔH_f, kcal/mol:	-187.65
Dipole, Da:	2.73
IP(EA), eV:	-9.51(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-phenyl-1,2,4-oxadiazol-5-yl)methyl (E)-3-(3-fluorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)CNC(=O)COC(=O)/C=C/C2=CC(=CC=C2)F

DOS

IR

Vibrations