Geometry & MOs
Info
ID: |
127922 |
PubChem CID: |
51023150 |
Reduced: |
SO2C15H20 (1) |
Stoich.: |
AB2C15D20 (1) |
Weight, g/mol: |
2380.579624 |
ΔHf, kcal/mol: |
-31.24 |
Dipole, Da: |
2.33 |
IP(EA), eV: |
-8.96(-0.35) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37S,38S,39S,40S,41S,42S,43S,44S,45S,46S,47S,48S,49S)-5,15,20,25,30,35-hexakis[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylmethyl]-10-[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylmethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol