Geometry & MOs
Info
ID: |
168677 |
PubChem CID: |
75001289 |
Reduced: |
N2O5B10C17H23 (1) |
Stoich.: |
A2B5C10D17E23 (1) |
Weight, g/mol: |
1316.82924 |
ΔHf, kcal/mol: |
157.95 |
Dipole, Da: |
2.24 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.996108 |
Charge, e: |
0 |
Chem-info
IUPAC name:
N-[4-amino-1-[[1-[[4-amino-1-[[9,18-bis(2-aminoethyl)-15-benzyl-6-[2-(2,6-diaminohexanoylamino)ethyl]-3-(1-hydroxyethyl)-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methylheptanamide