Geometry & MOs
Info
ID: |
312637 |
PubChem CID: |
126607071 |
Reduced: |
BrClFO2H17C22 (1) |
Stoich.: |
ABCD2E17F22 (1) |
Weight, g/mol: |
1591.606915 |
ΔHf, kcal/mol: |
-65.91 |
Dipole, Da: |
0.72 |
IP(EA), eV: |
-8.91(-0.51) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
2-[[4-[[6-[[(2R,3S,4R,5R,6S)-6-[4-chloro-3-[[4-[(3,3-dimethyl-1H-2-benzofuran-1-yl)methoxy]-3-fluorophenyl]methyl]phenyl]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,3-dimethyl-1H-2-benzofuran-1-yl]methoxy]phenyl]methyl]-4-[(2S,3R,4R,5S,6R)-6-[[1,1-dimethyl-3-[[4-[[3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]phenoxy]methyl]-3H-2-benzofuran-5-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]benzonitrile