Geometry & MOs

Info

ID:	55427
PubChem CID:	17395387
Reduced:	FO3N5H12C15 (1)
Stoich.:	AB3C5D12E15 (1)
Weight, g/mol:	288.111007
ΔH_f, kcal/mol:	-52.86
Dipole, Da:	3.95
IP(EA), eV:	-8.92(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] benzoate

Drug info:

PubChemData

Smile

C1=COC(=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)N

DOS

IR

Vibrations