Geometry & MOs
Info
ID: |
297680 |
PubChem CID: |
117625509 |
Reduced: |
NC6H6 (4) |
Stoich.: |
AB6C6 (4) |
Weight, g/mol: |
694.15894 |
ΔHf, kcal/mol: |
109.01 |
Dipole, Da: |
2.43 |
IP(EA), eV: |
-8.03(-0.15) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
ethyl 2-[4-[[[3-[[(4S)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-5-bromopyrazin-2-yl]-methylamino]methyl]cyclohexyl]acetate