Geometry & MOs
Info
ID: |
233388 |
PubChem CID: |
89854988 |
Reduced: |
BrIrNOH14C15 (1) |
Stoich.: |
ABCDE14F15 (1) |
Weight, g/mol: |
1138.465277 |
ΔHf, kcal/mol: |
139.57 |
Dipole, Da: |
16.98 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.903645 |
Charge, e: |
0 |
Chem-info
IUPAC name:
2-[2-[2-[1-(2-amino-1-methylimidazol-4-yl)oxy-3-carboxylato-5-[2-[4-[2-(1-carboxylatopropoxy)-2-oxo-1-[2-(trimethylazaniumyl)ethoxy]ethoxy]-4-oxobutan-2-yl]oxy-2-oxo-1-[2-(trimethylazaniumyl)ethoxy]ethoxy]-1,5-dioxopentan-3-yl]oxy-2-oxo-1-[2-(trimethylazaniumyl)ethoxy]ethoxy]-2-oxoethyl]-4-ethoxy-2-hydroxy-4-oxobutanoate