Geometry & MOs
Info
ID: |
393395 |
PubChem CID: |
135020397 |
Reduced: |
ClO2H12C15 (1) |
Stoich.: |
AB2C12D15 (1) |
Weight, g/mol: |
534.243765 |
ΔHf, kcal/mol: |
-5.05 |
Dipole, Da: |
0.98 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.152209 |
Charge, e: |
0 |
Chem-info
IUPAC name:
(4R,6aS,12aS,12bS)-4-[tert-butyl(dimethyl)silyl]oxy-11-hydroxy-2-(phenylmethoxymethyl)-3,4,6,6a,12a,12b-hexahydro-2H-naphtho[2,3-h]chromene-7,12-dione