Geometry & MOs
Info
ID: |
393211 |
PubChem CID: |
135019750 |
Reduced: |
O2N3C5H10 (1) |
Stoich.: |
A2B3C5D10 (1) |
Weight, g/mol: |
625.336315 |
ΔHf, kcal/mol: |
-27.29 |
Dipole, Da: |
3.94 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.804368 |
Charge, e: |
0 |
Chem-info
IUPAC name:
[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-[(E)-3-aminoprop-1-enyl]-21-hydroxy-20-methoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-methylpropanoate