Geometry & MOs
Info
ID: |
170285 |
PubChem CID: |
75214667 |
Reduced: |
ClCuN3O3C10H12 (1) |
Stoich.: |
ABC3D3E10F12 (1) |
Weight, g/mol: |
1587.475614 |
ΔHf, kcal/mol: |
-64.2 |
Dipole, Da: |
10.28 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.021902 |
Charge, e: |
0 |
Chem-info
IUPAC name:
9-[5-[2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-hydroxyphenyl]-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol;2-(3,5-dihydroxyphenyl)-3,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol