Geometry & MOs
Info
ID: |
125104 |
PubChem CID: |
50909792 |
Reduced: |
OSN3C20H23 (1) |
Stoich.: |
ABC3D20E23 (1) |
Weight, g/mol: |
804.477226 |
ΔHf, kcal/mol: |
25.67 |
Dipole, Da: |
5.41 |
IP(EA), eV: |
-8.57(-0.63) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S)-N-[(E,6R,7R)-7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-[(E)-7-(2-hydroxy-4-oxo-1H-pyridin-3-yl)-6-methyl-7-oxohept-1-enyl]oxolan-2-yl]-6-methoxy-5-methyloct-2-enyl]-2-[(2R,3R,4R,6S)-2,3,4-trihydroxy-5,5-dimethyl-6-[(E)-pent-1-enyl]oxan-2-yl]butanamide