Geometry & MOs
Info
ID: |
396257 |
PubChem CID: |
135027878 |
Reduced: |
ON5C8H12 (1) |
Stoich.: |
AB5C8D12 (1) |
Weight, g/mol: |
1308.591934 |
ΔHf, kcal/mol: |
23.22 |
Dipole, Da: |
1.8 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.920104 |
Charge, e: |
0 |
Chem-info
IUPAC name:
(4R,6S,7S,9S,12S,13S,29R,31S,32S,34S,37S,38S)-10,11,12,35,36,37,60,61,71,72-decahydroxy-6,31-bis(hydroxymethyl)-5,8,20,23,30,33,45,48,53,56,59,64,67,70-tetradecaoxa-1,3,15,17,26,28,40,42-octazaheptacyclo[40.8.8.817,26.24,7.229,32.19,13.134,38]doheptacontane-2,16,27,41-tetrone