Geometry & MOs
Info
ID: |
84598 |
PubChem CID: |
49868407 |
Reduced: |
OC5H9 (2) |
Stoich.: |
AB5C9 (2) |
Weight, g/mol: |
458.178812 |
ΔHf, kcal/mol: |
-113.77 |
Dipole, Da: |
3.88 |
IP(EA), eV: |
-10.1(2.44) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(1S,2S,3S,7S,9S,10R)-3-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-10-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-one