Geometry & MOs
Info
ID: |
409015 |
PubChem CID: |
135081789 |
Reduced: |
BrO3C17H23 (1) |
Stoich.: |
AB3C17D23 (1) |
Weight, g/mol: |
456.11871 |
ΔHf, kcal/mol: |
-78.59 |
Dipole, Da: |
2.94 |
IP(EA), eV: |
-9.66(-0.18) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
[(3aR,4S,6aR,8S,9S,9aS,9bR)-9-(chloromethyl)-8,9-dihydroxy-6-methylidene-2,3-dioxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] (E)-4-acetyloxy-2-methylbut-2-enoate