Geometry & MOs
Info
ID: |
226619 |
PubChem CID: |
87544440 |
Reduced: |
CoO4C5H6 (1) |
Stoich.: |
AB4C5D6 (1) |
Weight, g/mol: |
1030.21373 |
ΔHf, kcal/mol: |
-125.99 |
Dipole, Da: |
7.72 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.760939 |
Charge, e: |
0 |
Chem-info
IUPAC name:
N-[(2S,3R)-4-[[(2R,4S)-6-bromo-2-methyl-2-(trifluoromethyl)-3,4-dihydrochromen-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide;N-[(2S,3R)-4-[[(2S,4S)-6-bromo-2-methyl-2-(trifluoromethyl)-3,4-dihydrochromen-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide