Geometry & MOs

Info

ID:	179465
PubChem CID:	76486211
Reduced:	BrFN2O5C12H16 (1)
Stoich.:	ABC2D5E12F16 (1)
Weight, g/mol:	339.08735
ΔH_f, kcal/mol:	-268.14
Dipole, Da:	3.37
IP(EA), eV:	-10.22(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-(4-carbonochloridoyl-1,3-oxazol-2-yl)-7-oxabicyclo[2.2.1]heptan-2-yl]hex-4-enoic acid

Drug info:

PubChemData

Smile

C1C(C(C(C1O)(CO)O)N2CC(C(=O)NC2=O)C=CBr)F

DOS

IR

Vibrations