Geometry & MOs
Info
ID: |
44709 |
PubChem CID: |
10505472 |
Reduced: |
OS2N3C24H28 (1) |
Stoich.: |
AB2C3D24E28 (1) |
Weight, g/mol: |
498.37091 |
ΔHf, kcal/mol: |
23.37 |
Dipole, Da: |
5.72 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.236056 |
Charge, e: |
0 |
Chem-info
IUPAC name:
methyl (1R,3R,4R,7S,8S,11R,12S,13S,15S,16S,18R)-13-hydroxy-3,7,12-trimethyl-4-[(2R)-6-methyl-5-methylideneheptan-2-yl]-19-oxahexacyclo[13.3.1.03,7.08,18.011,16.016,18]nonadecane-12-carboxylate