Geometry & MOs
Info
ID: |
59843 |
PubChem CID: |
24899463 |
Reduced: |
FSN2O3H25C27 (1) |
Stoich.: |
ABC2D3E25F27 (1) |
Weight, g/mol: |
1590.44272 |
ΔHf, kcal/mol: |
-87.06 |
Dipole, Da: |
4.68 |
IP(EA), eV: |
-8.75(-0.8) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
2-[2-[carboxylatomethyl-[2-oxo-2-[2-[[2-[(E)-[(3S)-2,3,4,5,6-pentahydroxyhexylidene]amino]oxyacetyl]-[2-[(E)-[(3S,4R)-2,3,4,5,6-pentahydroxyhexylidene]amino]oxyacetyl]amino]ethylamino]ethyl]amino]ethyl-[2-[carboxylatomethyl-[2-oxo-2-[2-[[2-[(E)-[(3R,4R)-2,3,4,5,6-pentahydroxyhexylidene]amino]oxyacetyl]-[2-[(E)-[(3S,4R)-2,3,4,5,6-pentahydroxyhexylidene]amino]oxyacetyl]amino]ethylamino]ethyl]amino]ethyl]amino]acetate;gadolinium(3+);hydrate