Geometry & MOs
Info
ID: |
328167 |
PubChem CID: |
126692852 |
Reduced: |
ClSO2C9H9 (1) |
Stoich.: |
ABC2D9E9 (1) |
Weight, g/mol: |
506.187579 |
ΔHf, kcal/mol: |
-36.39 |
Dipole, Da: |
6.89 |
IP(EA), eV: |
-9.69(-0.98) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(Z)-3-amino-1-[(4R,5S)-4-[[8-[3-fluoro-5-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-7-azatricyclo[3.3.0.01,3]octan-7-yl]but-2-ene-1-thione