Geometry & MOs
Info
ID: |
298898 |
PubChem CID: |
117663980 |
Reduced: |
ClN4C5H5 (1) |
Stoich.: |
AB4C5D5 (1) |
Weight, g/mol: |
472.260504 |
ΔHf, kcal/mol: |
73.32 |
Dipole, Da: |
2.23 |
IP(EA), eV: |
-8.9(-0.85) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
2-(6-chloro-2,3-dihydrotriazolo[4,5-b]pyridin-1-yl)-1-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone