Geometry & MOs

Info

ID:	128009
PubChem CID:	51026251
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	470.266839
ΔH_f, kcal/mol:	8.96
Dipole, Da:	6.43
IP(EA), eV:	-8.54(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (Z)-7-[(1R,5S,6S,7S)-7-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxo-2,4-dioxabicyclo[3.2.1]octan-6-yl]hept-5-enoate

Drug info:

PubChemData

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C[C@@]12C[C@H](CC3=C1C=CC(=C3)OC)CN(C2=O)C

DOS

IR

Vibrations