Geometry & MOs

Info

ID:	208633
PubChem CID:	80556009
Reduced:	O2N3C14H19 (1)
Stoich.:	A2B3C14D19 (1)
Weight, g/mol:	281.052193
ΔH_f, kcal/mol:	-10.45
Dipole, Da:	3.51
IP(EA), eV:	-8.57(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-4-fluorobenzoic acid

Drug info:

PubChemData

Smile

CCOCC1=NOC(=N1)C(C)(C)C2=CC=C(C=C2)N

DOS

IR

Vibrations