Geometry & MOs

Info

ID:	135606
PubChem CID:	51900869
Reduced:	O4C15H24 (1)
Stoich.:	A4B15C24 (1)
Weight, g/mol:	452.131862
ΔH_f, kcal/mol:	-200.99
Dipole, Da:	6.31
IP(EA), eV:	-10.38(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4S,5S,6S)-3,4,5-triacetyloxy-6-(2-formylphenoxy)oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCCCC[C@H](/C=C/[C@H]1[C@@H](C[C@@H]2[C@@H]1CC(=O)O2)O)O

DOS

IR

Vibrations