Geometry & MOs
Info
ID: |
441393 |
PubChem CID: |
135234472 |
Reduced: |
ClSO2C13H23 (1) |
Stoich.: |
ABC2D13E23 (1) |
Weight, g/mol: |
2293.56371 |
ΔHf, kcal/mol: |
-136.58 |
Dipole, Da: |
3.26 |
IP(EA), eV: |
-8.95(-0.28) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
3-[5-[3-[5-[4-[4-(propylcarbamoyl)-2,6-bis[4-[1-[3-[[4-(2-sulfoethoxy)-3,5-bis(3-sulfopropoxy)benzoyl]amino]propyl]triazol-4-yl]butoxy]phenoxy]butyl]-3,4-dihydro-2H-1,2,4-triazin-1-yl]propylcarbamoyl]-2,3-bis(3-sulfopropoxy)phenoxy]propane-1-sulfonic acid