Geometry & MOs
Info
ID: |
84052 |
PubChem CID: |
49863889 |
Reduced: |
BrF6N6H9C19 (1) |
Stoich.: |
AB6C6D9E19 (1) |
Weight, g/mol: |
794.408871 |
ΔHf, kcal/mol: |
-166.76 |
Dipole, Da: |
4.93 |
IP(EA), eV: |
-9.41(-1.83) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
methyl (2S,3S,4S,5R,6R)-3,4-dihydroxy-6-[[(3S,5S,8R,9S,10S,13S,14R)-16-hydroxy-10,13-dimethyl-17-[(2R)-6-methyl-5-methylidene-4-oxoheptan-2-yl]-15-oxo-1,2,3,4,5,6,7,8,9,11,12,14-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate