Geometry & MOs
Info
ID: |
315983 |
PubChem CID: |
126629551 |
Reduced: |
N2O7C26H49 (1) |
Stoich.: |
A2B7C26D49 (1) |
Weight, g/mol: |
918.522182 |
ΔHf, kcal/mol: |
-349.42 |
Dipole, Da: |
9.62 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.751346 |
Charge, e: |
1 |
Chem-info
IUPAC name:
3-[[11-[2-(2-aminoethoxy)ethylamino]-6,9-dicarboxy-2-(1-carboxy-2,2-dimethylpropyl)-5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-4,4,8,8,10-pentamethyl-11-oxoundecanoyl]amino]propyl-dimethyl-(3-sulfopropyl)azanium