Geometry & MOs
Info
ID: |
396527 |
PubChem CID: |
135028635 |
Reduced: |
SN2O2C14H18 (1) |
Stoich.: |
AB2C2D14E18 (1) |
Weight, g/mol: |
862.28718 |
ΔHf, kcal/mol: |
-53.96 |
Dipole, Da: |
2.72 |
IP(EA), eV: |
-8.79(-0.22) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(11R,17S,40R,46S)-15,42-dimethoxyicosacyclo[51.5.2.221,27.111,46.117,40.04,57.07,56.08,49.010,47.012,45.014,43.016,41.018,39.020,37.022,26.023,36.024,33.025,30.050,55.054,58]tetrahexaconta-1(58),2,4(57),5,7(56),8,10(47),12(45),13,15,19,21,23(36),24(33),25(30),26,28,31,34,37,41,43,48,50(55),51,53,59,63-octacosaene