Geometry & MOs
Info
ID: |
168286 |
PubChem CID: |
74945264 |
Reduced: |
ClON3C14H14 (1) |
Stoich.: |
ABC3D14E14 (1) |
Weight, g/mol: |
1445.450935 |
ΔHf, kcal/mol: |
3.27 |
Dipole, Da: |
6.6 |
IP(EA), eV: |
-9.66(-0.82) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
19-[(2-amino-4-methylpentanoyl)amino]-5,15-dichloro-2,18,32,35,37-pentahydroxy-22-[2-(octylcarbamoylamino)-2-oxoethyl]-20,23,26,42,44-pentaoxo-48-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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