Geometry & MOs
Info
ID: |
328164 |
PubChem CID: |
126692787 |
Reduced: |
FSO4C20H23 (1) |
Stoich.: |
ABC4D20E23 (1) |
Weight, g/mol: |
516.191915 |
ΔHf, kcal/mol: |
-162.67 |
Dipole, Da: |
6.49 |
IP(EA), eV: |
-9.11(-0.46) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(Z)-3-amino-1-[(1S,7R)-6-ethyl-7-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-azabicyclo[3.2.0]heptan-3-yl]but-2-ene-1-thione