Geometry & MOs

Info

ID:	68858
PubChem CID:	46509502
Reduced:	F3O4N6C16H19 (1)
Stoich.:	A3B4C6D16E19 (1)
Weight, g/mol:	438.102728
ΔH_f, kcal/mol:	-276.43
Dipole, Da:	6.16
IP(EA), eV:	-10.5(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=NC(=NN12)C(F)(F)F)C)CC(=O)OC(C(C)C)C(=O)NC(=O)N

DOS

IR

Vibrations