Geometry & MOs
Info
ID: |
328845 |
PubChem CID: |
126728357 |
Reduced: |
N2O2C11H22 (1) |
Stoich.: |
A2B2C11D22 (1) |
Weight, g/mol: |
1599.513929 |
ΔHf, kcal/mol: |
-108.04 |
Dipole, Da: |
1.47 |
IP(EA), eV: |
-9.57(0.6) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(1S,18R,19R,22S,28R,40S)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[(2S,3R,4S,5S,6R)-3-[(4S,5S,6S)-4-[[(1S,2E)-cyclooct-2-en-1-yl]oxycarbonylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,18,32,35,37-pentahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid