Geometry & MOs
Info
ID: |
449747 |
PubChem CID: |
135301116 |
Reduced: |
O2C7H7 (2) |
Stoich.: |
A2B7C7 (2) |
Weight, g/mol: |
906.525513 |
ΔHf, kcal/mol: |
-62.44 |
Dipole, Da: |
1.87 |
IP(EA), eV: |
-8.57(-0.74) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
[3-[[[(1S)-1-[5-[4-[4-[2-[(1S)-2,2-dimethyl-1-[[3-(propanoyloxymethyl)-2-oxabicyclo[2.2.2]octane-3-carbonyl]amino]propyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]amino]-hydroxymethyl]-2-oxabicyclo[2.2.2]octan-3-yl]methyl propanoate