Geometry & MOs
Info
ID: |
321030 |
PubChem CID: |
126664482 |
Reduced: |
N2O4C21H26 (1) |
Stoich.: |
A2B4C21D26 (1) |
Weight, g/mol: |
705.237481 |
ΔHf, kcal/mol: |
-131.02 |
Dipole, Da: |
2.93 |
IP(EA), eV: |
-8.9(0.02) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
[(1S,2S)-1-(4-chloro-3-fluorophenyl)-3-[[(1S,2R)-2-[2-[(6R,9S)-2,2-dihydroxy-2lambda4-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl]cyclohexyl]amino]-3-oxo-1-[5-(trifluoromethyl)pyridin-3-yl]propan-2-yl]carbamic acid