Geometry & MOs

Info

ID:	6553
PubChem CID:	68869
Reduced:	FNO3H12C16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	285.080121
ΔH_f, kcal/mol:	-102.42
Dipole, Da:	3.82
IP(EA), eV:	-9.54(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]propanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)F)C(=O)O

DOS

IR

Vibrations