Geometry & MOs
Info
ID: |
401222 |
PubChem CID: |
135050605 |
Reduced: |
InC6H14 (1) |
Stoich.: |
AB6C14 (1) |
Weight, g/mol: |
1227.592382 |
ΔHf, kcal/mol: |
53.12 |
Dipole, Da: |
0.22 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.897033 |
Charge, e: |
1 |
Chem-info
IUPAC name:
[(1'S,2'R,6S,6'S,10E,13S,14E,16E,21R,24S)-12-[(2S,4S,5R,6S)-5-[[(4aS,6R,8S,8aR)-8-methoxy-2-(phenoxymethyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-3-ium-6-yl]oxy]-4-methoxy-6-methyloxan-2-yl]oxy-2'-butan-2-yl-1',11,13,22-tetramethyl-2-oxo-24-trimethylsilyloxyspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,4'-3,7-dioxabicyclo[4.1.0]heptane]-21-yl] 2-phenoxyacetate