Geometry & MOs
Info
ID: |
321053 |
PubChem CID: |
126664584 |
Reduced: |
FO4C7H9 (1) |
Stoich.: |
AB4C7D9 (1) |
Weight, g/mol: |
626.290484 |
ΔHf, kcal/mol: |
-198.44 |
Dipole, Da: |
5.21 |
IP(EA), eV: |
-10.44(-0.55) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
[(1R,2S)-1-(4-chlorophenyl)-3-[[(1S,2R)-2-[2-[(6R,9S)-2,2-dihydroxy-2lambda4-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl]cyclohexyl]amino]-1-(oxan-4-yl)-3-oxopropan-2-yl]carbamic acid