Geometry & MOs
Info
ID: |
147243 |
PubChem CID: |
53786897 |
Reduced: |
SO2N4C6H8 (1) |
Stoich.: |
AB2C4D6E8 (1) |
Weight, g/mol: |
556.189563 |
ΔHf, kcal/mol: |
-25.83 |
Dipole, Da: |
3.24 |
IP(EA), eV: |
-9.43(-1.4) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
N-[[(4R,4aR,7aS,12bS)-3-[(2-hydroxycyclopropyl)methyl]-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxymethyl]-2-(3,4-dichlorophenyl)-N-methylacetamide