Geometry & MOs

Info

ID:	28098
PubChem CID:	825553
Reduced:	FSN2H13C16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	310.058971
ΔH_f, kcal/mol:	38.66
Dipole, Da:	3.55
IP(EA), eV:	-8.98(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(4-carboxyphenyl)-1,3,4-oxadiazol-2-yl]benzoic acid

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=C(S2)N=CC3=CC=C(C=C3)F)C#N

DOS

IR

Vibrations