Geometry & MOs
Info
ID: |
395619 |
PubChem CID: |
135026029 |
Reduced: |
ON2C3H3 (1) |
Stoich.: |
AB2C3D3 (1) |
Weight, g/mol: |
519.141733 |
ΔHf, kcal/mol: |
15.21 |
Dipole, Da: |
5.97 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.780874 |
Charge, e: |
0 |
Chem-info
IUPAC name:
ethyl (5R,7S)-8-benzoyl-5'-fluoro-5-hydroxy-2'-oxo-5-(trifluoromethyl)spiro[1,2,3,6-tetrahydroimidazo[1,2-a]pyridine-7,3'-1H-indole]-6-carboxylate