Geometry & MOs
Info
ID: |
127764 |
PubChem CID: |
51014428 |
Reduced: |
OC13H16 (1) |
Stoich.: |
AB13C16 (1) |
Weight, g/mol: |
850.167422 |
ΔHf, kcal/mol: |
-44.35 |
Dipole, Da: |
2.35 |
IP(EA), eV: |
-8.49(0.48) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
2,2,2-trichloroethyl (1S,9R,12S)-11-[(1S)-2-acetyloxy-1-(6-acetyloxy-7-methyl-1,3-benzodioxol-4-yl)ethyl]-12-(hydroxymethyl)-4,12-dimethoxy-5-methyl-10-oxo-3-phenylmethoxy-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate