Geometry & MOs

Info

ID:	61385
PubChem CID:	26708765
Reduced:	F2N2S2O3H22C23 (1)
Stoich.:	A2B2C2D3E22F23 (1)
Weight, g/mol:	490.097643
ΔH_f, kcal/mol:	-145.09
Dipole, Da:	5.97
IP(EA), eV:	-9.39(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-fluorophenoxy)-4-oxochromen-7-yl] 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoate

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)N[C@@H](C3=CC=C(C=C3)F)C4=CC=CS4

DOS

IR

Vibrations