Geometry & MOs
Info
ID: |
85033 |
PubChem CID: |
49871415 |
Reduced: |
NO3C8H10 (2) |
Stoich.: |
AB3C8D10 (2) |
Weight, g/mol: |
648.387348 |
ΔHf, kcal/mol: |
-160.68 |
Dipole, Da: |
3.6 |
IP(EA), eV: |
-9.7(-0.59) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(1R,3aS,5aR,5bR,7aR,8S,9R,11aR,11bR,13aR,13bR)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a,8-dicarboxylic acid