Geometry & MOs
Info
ID: |
394439 |
PubChem CID: |
135023003 |
Reduced: |
OSiC7H11 (1) |
Stoich.: |
ABC7D11 (1) |
Weight, g/mol: |
882.476557 |
ΔHf, kcal/mol: |
42.09 |
Dipole, Da: |
5.12 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.764240 |
Charge, e: |
0 |
Chem-info
IUPAC name:
2-[[(1R,3S,5R,7S,9R,11S,12S,14R,16R,18S,20R,24S,26R,28S,30R,33S,35R,37S,42R,44S,46R,48S)-12-hydroxy-1,3,11,24,41,44-hexamethyl-39-oxo-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentacont-40-en-14-yl]methyl]prop-2-enal