Geometry & MOs
Info
ID: |
159505 |
PubChem CID: |
57288272 |
Reduced: |
SiO2C12H25 (1) |
Stoich.: |
AB2C12D25 (1) |
Weight, g/mol: |
436.335273 |
ΔHf, kcal/mol: |
-163.04 |
Dipole, Da: |
1.48 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.758299 |
Charge, e: |
0 |
Chem-info
IUPAC name:
(3R,8S,9S,10R,13R,14S,17R)-17-[(2R)-5-fluoro-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,3-diol