Geometry & MOs
Info
ID: |
168294 |
PubChem CID: |
74947078 |
Reduced: |
NO3C47H87 (1) |
Stoich.: |
AB3C47D87 (1) |
Weight, g/mol: |
699.359176 |
ΔHf, kcal/mol: |
-228.13 |
Dipole, Da: |
1.68 |
IP(EA), eV: |
-8.64(1.21) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
2-[4-[2-[[4-[[(2-amino-4-phenylbutanoyl)amino]oxymethyl]phenyl]methylamino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid