Geometry & MOs
Info
ID: |
177467 |
PubChem CID: |
76188960 |
Reduced: |
ClF3N3C20H21 (1) |
Stoich.: |
AB3C3D20E21 (1) |
Weight, g/mol: |
1416.036701 |
ΔHf, kcal/mol: |
-121.04 |
Dipole, Da: |
6.98 |
IP(EA), eV: |
-9.49(-0.76) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
[5,6-dihydroxy-4-[[8-[3-hydroxy-4-[[8-[3-hydroxy-6-(hydroxymethyl)-4-[(8-hydroxy-4-sulfooxy-2,6-dioxabicyclo[3.2.1]octan-3-yl)oxy]-5-sulfooxyoxan-2-yl]oxy-4-sulfooxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-6-(hydroxymethyl)-5-sulfooxyoxan-2-yl]oxy-4-sulfooxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate