Geometry & MOs
Info
ID: |
388758 |
PubChem CID: |
134990118 |
Reduced: |
AlClPS2Br3C7H7 (1) |
Stoich.: |
ABCD2E3F7G7 (1) |
Weight, g/mol: |
502.256668 |
ΔHf, kcal/mol: |
-130.57 |
Dipole, Da: |
13.57 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.793886 |
Charge, e: |
0 |
Chem-info
IUPAC name:
methyl (3S,7R,8S,9S,10R,11R,13S,14S,17R)-3,11-diacetyloxy-10,13-dimethyl-5'-oxospiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate