Geometry & MOs
Info
ID: |
59089 |
PubChem CID: |
24770854 |
Reduced: |
OC6H8 (2) |
Stoich.: |
AB6C8 (2) |
Weight, g/mol: |
618.246497 |
ΔHf, kcal/mol: |
-75.75 |
Dipole, Da: |
3.72 |
IP(EA), eV: |
-8.08(0.17) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
[(1aR,3S,3aR,4R,5R,6R,7aS)-5-formyloxy-3-(furan-3-yl)-6-[(3R,4R)-3-(2-methoxy-2-oxoethyl)-2,2,4-trimethyl-7-oxo-3H-oxepin-4-yl]-3a-methyl-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxiren-4-yl] benzoate