Geometry & MOs
Info
ID: |
84969 |
PubChem CID: |
49871013 |
Reduced: |
N3O3F4H16C22 (1) |
Stoich.: |
A3B3C4D16E22 (1) |
Weight, g/mol: |
689.33371 |
ΔHf, kcal/mol: |
-223.1 |
Dipole, Da: |
7.61 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.002663 |
Charge, e: |
0 |
Chem-info
IUPAC name:
(4S,6S,15S)-N-[2-(dimethylamino)ethyl]-20-fluoro-11,16-dimethyl-6-(naphthalen-1-ylcarbamoylamino)-9,12,17-trioxo-2-oxa-8,11,16-triazatricyclo[16.4.0.04,8]docosa-1(18),19,21-triene-15-carboxamide