Geometry & MOs

Info

ID:	320351
PubChem CID:	126659670
Reduced:	FNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	457.171165
ΔH_f, kcal/mol:	-118.68
Dipole, Da:	3.56
IP(EA), eV:	-9.7(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[4-[4-(2-benzylsulfanylethyl)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

C[C@@H]1C([C@@](CO1)(C2=CC=CC=C2F)N)CO

DOS

IR

Vibrations