Geometry & MOs
Info
ID: |
229025 |
PubChem CID: |
87566799 |
Reduced: |
FN2O2S2C22H23 (1) |
Stoich.: |
AB2C2D2E22F23 (1) |
Weight, g/mol: |
1768.798888 |
ΔHf, kcal/mol: |
-39.77 |
Dipole, Da: |
2.06 |
IP(EA), eV: |
-9.06(-1.01) |
Spin(Sz, S2): |
None, None |
Charge, e: |
-2 |
Chem-info
IUPAC name:
[(2S)-4-carbamoyl-2-[(2S,3S)-2-(N-[(2S,3S)-1-[(2S)-4-carbamoyl-2-(carboxycarbamoyl)-3,3-dimethyl-2-bicyclo[4.2.2]deca-1(8),6,9-trienyl]-3-hydroxypyrrolidin-2-yl]-4-fluoro-2,3-dimethylanilino)-3-hydroxypyrrolidin-1-yl]-3,3-dimethylbicyclo[4.2.2]deca-1(8),6,9-triene-2-carbonyl]carbamic acid;N-[(2S)-4-carbamoyl-2-[2-(N-[1-[(2S)-4-carbamoyl-2-(carboxylatocarbamoyl)-9-methoxy-3,3-dimethyl-2-bicyclo[4.3.1]deca-1(9),6(10),7-trienyl]pyrrolidin-2-yl]-4-fluoroanilino)pyrrolidin-1-yl]-9-methoxy-3,3-dimethylbicyclo[4.3.1]deca-1(9),6(10),7-triene-2-carbonyl]carbamate