Geometry & MOs
Info
ID: |
328511 |
PubChem CID: |
126723750 |
Reduced: |
ClFN2O6C17H18 (1) |
Stoich.: |
ABC2D6E17F18 (1) |
Weight, g/mol: |
1598.69217 |
ΔHf, kcal/mol: |
-290.18 |
Dipole, Da: |
6.38 |
IP(EA), eV: |
-10.32(-0.98) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
2-[3-[(2S,5S,8S,11R,14S,17S,20S,28R)-28-[2-[[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylsulfanyl]ethylamino]-14-(4-aminobutyl)-8-benzyl-20-[(2-fluorophenyl)methyl]-17-[hydroxy(methyl)-lambda3-iodanyl]-11-(1H-indol-3-ylmethyl)-3,6,9,12,15,18,21,29-octaoxo-5-(2-phenylethyl)-1,4,7,10,13,16,19,23-octazacyclononacos-2-yl]propyl]guanidine