Geometry & MOs
Info
ID: |
230654 |
PubChem CID: |
87571570 |
Reduced: |
NO4C7H11 (1) |
Stoich.: |
AB4C7D11 (1) |
Weight, g/mol: |
704.412215 |
ΔHf, kcal/mol: |
-127.45 |
Dipole, Da: |
4.28 |
IP(EA), eV: |
-10.46(-0.84) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
9,11-dioxo-5-(3-pyrrolidin-1-ylpropylamino)-6-[(Z)-N'-(3-pyrrolidin-1-ylpropylamino)carbamimidoyl]-3-[(3-pyrrolidin-1-ylpropylamino)carbamoyl]-10-azatricyclo[6.3.2.02,7]trideca-1,3,5,7,12-pentaene-4-carboxylic acid