Geometry & MOs
Info
ID: |
59671 |
PubChem CID: |
24892928 |
Reduced: |
N3O4C20H30 (1) |
Stoich.: |
A3B4C20D30 (1) |
Weight, g/mol: |
784.497292 |
ΔHf, kcal/mol: |
-161.78 |
Dipole, Da: |
7.78 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.816978 |
Charge, e: |
0 |
Chem-info
IUPAC name:
(3R,4S,5S,6R)-2-[(3R,4S,5S,6R)-4,5-dihydroxy-2-[[(3R,8R,10R,14R)-12-hydroxy-17-(2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol