Geometry & MOs
Info
ID: |
336395 |
PubChem CID: |
127255402 |
Reduced: |
BrCl2N4C11H21 (1) |
Stoich.: |
AB2C4D11E21 (1) |
Weight, g/mol: |
482.251583 |
ΔHf, kcal/mol: |
-43.25 |
Dipole, Da: |
7.62 |
IP(EA), eV: |
-8.93(-0.39) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(3S,5R,8S,9S,10S,11R,13S,14S)-11-hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid