Geometry & MOs
Info
ID: |
147933 |
PubChem CID: |
53787593 |
Reduced: |
N3O3C5H10 (2) |
Stoich.: |
A3B3C5D10 (2) |
Weight, g/mol: |
439.244662 |
ΔHf, kcal/mol: |
-274.07 |
Dipole, Da: |
4.13 |
IP(EA), eV: |
-10.13(0.2) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
1-[(3S,8R,9R,10S,13S,14S,17S)-3-hydroxy-13-methyl-2-(1,2,4-triazol-1-yl)-3-(trifluoromethyl)-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone