Geometry & MOs
Info
ID: |
313017 |
PubChem CID: |
126610774 |
Reduced: |
ClNBr2O2H6C8 (1) |
Stoich.: |
ABC2D2E6F8 (1) |
Weight, g/mol: |
982.462089 |
ΔHf, kcal/mol: |
0.75 |
Dipole, Da: |
1.92 |
IP(EA), eV: |
-10.08(-1.52) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4R,6aR,9R,11bS)-9-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-4,6a,9,11b-tetramethyl-8-methylidene-1,2,3,4a,5,6,7,10,11,11a-decahydrocyclohepta[a]naphthalene-4-carboxylate