Geometry & MOs
Info
ID: |
375540 |
PubChem CID: |
134213864 |
Reduced: |
O3N5C10H21 (1) |
Stoich.: |
A3B5C10D21 (1) |
Weight, g/mol: |
1909.927315 |
ΔHf, kcal/mol: |
-107.54 |
Dipole, Da: |
3.05 |
IP(EA), eV: |
-9.28(0.68) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(3S,6S,9S,18S,21S,27R,30S,33S,36S,39S,42S,45S,50R)-6-(aminomethyl)-N,15-bis(2-amino-2-oxoethyl)-33,36-dibutyl-30-(3-carbamimidamidopropyl)-50-hydroxy-42-(hydroxymethyl)-39,45-bis(1H-indol-3-ylmethyl)-18,19,34,37-tetramethyl-3-(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-21-[[3-(trifluoromethyl)phenyl]methyl]-25-thia-1,4,7,13,16,19,22,28,31,34,37,40,43,46-tetradecazatricyclo[46.3.0.09,13]henpentacontane-27-carboxamide