Geometry & MOs
Info
ID: |
298486 |
PubChem CID: |
117650164 |
Reduced: |
NOC11H23 (1) |
Stoich.: |
ABC11D23 (1) |
Weight, g/mol: |
979.369392 |
ΔHf, kcal/mol: |
-69.71 |
Dipole, Da: |
0.93 |
IP(EA), eV: |
-9.56(1.3) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
[(1S,2S,3R,4S,7R,10S,12R,15S)-4-acetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-enoyl]oxy-10,14,17,17-tetramethyl-12-[3-(methyldisulfanyl)propanoyloxy]-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 2,5-dimethoxybenzoate