Geometry & MOs
Info
ID: |
50067 |
PubChem CID: |
12011293 |
Reduced: |
PSi2C12H24 (1) |
Stoich.: |
AB2C12D24 (1) |
Weight, g/mol: |
849.987617 |
ΔHf, kcal/mol: |
-105.76 |
Dipole, Da: |
3.82 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.896702 |
Charge, e: |
0 |
Chem-info
IUPAC name:
29-hydroxy-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28(38),30(37),31(36),32,34-nonadecaene-6,15,24,33-tetrasulfonic acid