Geometry & MOs
Info
ID: |
226933 |
PubChem CID: |
87559039 |
Reduced: |
MnO4C5H8 (1) |
Stoich.: |
AB4C5D8 (1) |
Weight, g/mol: |
1058.468978 |
ΔHf, kcal/mol: |
-121.88 |
Dipole, Da: |
2.92 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.952329 |
Charge, e: |
0 |
Chem-info
IUPAC name:
sodium;(2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoate;[(8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2-chloroacetyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate