Geometry & MOs
Info
ID: |
183838 |
PubChem CID: |
77077565 |
Reduced: |
SO3N4C12H20 (1) |
Stoich.: |
AB3C4D12E20 (1) |
Weight, g/mol: |
1495.616548 |
ΔHf, kcal/mol: |
-78.55 |
Dipole, Da: |
2.55 |
IP(EA), eV: |
-9.18(-0.39) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(4R,7S,10R,13S,16R,19S,22R,25S,28R,31R,34S)-34-amino-31-(4-aminobutyl)-19-[[4-(5-amino-4H-1,2,4-triazol-3-yl)phenyl]methyl]-13,25,28-tribenzyl-10,16-bis[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-22-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacontane-4-carboxylic acid