Geometry & MOs
Info
ID: |
400614 |
PubChem CID: |
135048511 |
Reduced: |
BC19H38 (1) |
Stoich.: |
AB19C38 (1) |
Weight, g/mol: |
598.22539 |
ΔHf, kcal/mol: |
-31.12 |
Dipole, Da: |
1.01 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.754486 |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S,6R)-4-[(1S,2S)-1-bromo-3-methyl-2-(trityloxymethyl)but-3-enyl]-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane