Geometry & MOs
Info
ID: |
313873 |
PubChem CID: |
126618296 |
Reduced: |
NOC13H31 (1) |
Stoich.: |
ABC13D31 (1) |
Weight, g/mol: |
693.205335 |
ΔHf, kcal/mol: |
-111.12 |
Dipole, Da: |
0.99 |
IP(EA), eV: |
-9.75(0.78) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S,4R)-1-[2-[5-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-3-acetylindol-1-yl]acetyl]-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide