Geometry & MOs
Info
ID: |
48517 |
PubChem CID: |
10852285 |
Reduced: |
NOC17H38 (1) |
Stoich.: |
ABC17D38 (1) |
Weight, g/mol: |
308.113892 |
ΔHf, kcal/mol: |
-77.27 |
Dipole, Da: |
0.87 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.751763 |
Charge, e: |
0 |
Chem-info
IUPAC name:
sodium;(3R,5R,6S,7S)-3-(hydroxy(113C)methyl)-1-(4-methylphenyl)-2,4,8,9-tetraoxa-1-boranuidatricyclo[3.3.2.03,7]decan-6-ol