Geometry & MOs
Info
ID: |
79945 |
PubChem CID: |
49831675 |
Reduced: |
IO2C13H23 (1) |
Stoich.: |
AB2C13D23 (1) |
Weight, g/mol: |
676.397519 |
ΔHf, kcal/mol: |
-112.3 |
Dipole, Da: |
2.66 |
IP(EA), eV: |
-9.54(-0.79) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
[(2S,2'R,4R,4aR,6R,8aR)-2-[(1S,3S)-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]-1-phenylmethoxybutyl]-3-methylidene-4-phenylmethoxyspiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]methanol