Geometry & MOs
Info
ID: |
163187 |
PubChem CID: |
57654281 |
Reduced: |
O2N5C18H23 (1) |
Stoich.: |
A2B5C18D23 (1) |
Weight, g/mol: |
894.325908 |
ΔHf, kcal/mol: |
-23.84 |
Dipole, Da: |
6.3 |
IP(EA), eV: |
-8.82(-0.37) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S,3S,4S,5R,6S)-6-[4-[(3R)-1-[4-[3-[3-(2,2-difluoro-10,12-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)propanoylamino]prop-1-ynyl]phenyl]-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxoazetidin-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid