Geometry & MOs
Info
ID: |
147554 |
PubChem CID: |
53787210 |
Reduced: |
FOC7H10 (2) |
Stoich.: |
ABC7D10 (2) |
Weight, g/mol: |
1954.108264 |
ΔHf, kcal/mol: |
-185.95 |
Dipole, Da: |
3.07 |
IP(EA), eV: |
-8.74(0.02) |
Spin(Sz, S2): |
None, None |
Charge, e: |
1 |
Chem-info
IUPAC name:
[6-[4-[[1,4-bis(carboxymethyl)-7,10-bis(2-hydroperoxyethyl)-1,4,7,10-tetrazacyclododec-2-yl]methyl]anilino]-6-oxohexyl]-methylidene-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoyl]azanium;methyl 6-acetamidohexanoate;methyl 6-(methylamino)hexanoate;methyl 6-[methyl-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoyl]amino]hexanoate;6-[methyl-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentyl]amino]hexanoic acid