Geometry & MOs

Info

ID:	128027
PubChem CID:	51027458
Reduced:	NO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	506.178812
ΔH_f, kcal/mol:	8.49
Dipole, Da:	2.91
IP(EA), eV:	-8.52(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S,4R,5S,6S)-3,4,5-triacetyloxy-6-[[(1R,2S,6R)-11-oxo-2-bicyclo[4.4.1]undeca-3,7,9-trienyl]oxy]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C1COCCN1C2=CC3[C@H]4C[C@H](C3C2=O)C=C4

DOS

IR

Vibrations