Geometry & MOs
Info
ID: |
161889 |
PubChem CID: |
57392955 |
Reduced: |
ClN2O2F3H14C16 (1) |
Stoich.: |
AB2C2D3E14F16 (1) |
Weight, g/mol: |
686.34146 |
ΔHf, kcal/mol: |
-214.76 |
Dipole, Da: |
6.03 |
IP(EA), eV: |
-8.68(-0.99) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
[(1S,2S,4R,8R,9S,10Z,12R)-11-[[(2R,3S,4R,5R)-3-acetyloxy-4,5-dihydroxyoxan-2-yl]oxymethyl]-12-ethoxy-5-(hydroxymethyl)-1-methyl-8-propan-2-yl-15-oxatricyclo[10.2.1.04,9]pentadeca-5,10,13-trien-2-yl] (E)-3-(1-methylimidazol-4-yl)prop-2-enoate