Geometry & MOs
Info
ID: |
221786 |
PubChem CID: |
85286142 |
Reduced: |
InO12C24H30 (1) |
Stoich.: |
AB12C24D30 (1) |
Weight, g/mol: |
622.153385 |
ΔHf, kcal/mol: |
-373.95 |
Dipole, Da: |
6.49 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.469994 |
Charge, e: |
0 |
Chem-info
IUPAC name:
[4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-(3,4,5-trihydroxyoxan-2-yl)oxychromen-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl] acetate