Geometry & MOs
Info
ID: |
378335 |
PubChem CID: |
134224413 |
Reduced: |
FPN3O6C15H16 (1) |
Stoich.: |
ABC3D6E15F16 (1) |
Weight, g/mol: |
720.409815 |
ΔHf, kcal/mol: |
-225.99 |
Dipole, Da: |
8.29 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.777684 |
Charge, e: |
0 |
Chem-info
IUPAC name:
4-[4-[[(3R,4R,4aR,5R,6aS,6bR,9S,10S,12aR)-3,4,5,10-tetrahydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methoxymethyl]triazol-1-yl]-N-oxobenzamide