Geometry & MOs
Info
ID: |
394153 |
PubChem CID: |
135022430 |
Reduced: |
ClNH9C10 (1) |
Stoich.: |
ABC9D10 (1) |
Weight, g/mol: |
368.219889 |
ΔHf, kcal/mol: |
79.28 |
Dipole, Da: |
4.14 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.913377 |
Charge, e: |
0 |
Chem-info
IUPAC name:
[(3S,6S)-3-acetyloxy-6-[(1S,2R,5R)-2-methyl-5-propan-2-ylcyclohexyl]oxy-3,6-dihydro-2H-pyran-2-yl]methyl acetate