Geometry & MOs
Info
ID: |
379397 |
PubChem CID: |
134419313 |
Reduced: |
N4H12C13 (1) |
Stoich.: |
A4B12C13 (1) |
Weight, g/mol: |
920.703812 |
ΔHf, kcal/mol: |
81.46 |
Dipole, Da: |
6.27 |
IP(EA), eV: |
-9.12(-0.75) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
2-[7-(carboxymethyl)-4-ethyl-10-[2-oxo-2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-tris(3-aminopropoxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid