Geometry & MOs
Info
ID: |
161232 |
PubChem CID: |
57391109 |
Reduced: |
ClN2O3C16H17 (1) |
Stoich.: |
AB2C3D16E17 (1) |
Weight, g/mol: |
586.350569 |
ΔHf, kcal/mol: |
-84.52 |
Dipole, Da: |
5.8 |
IP(EA), eV: |
-9.22(-0.4) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
3-[[(3R,5R,10S,13R,14R,17R)-17-[(2R)-4-[(2R)-2-[(1S)-1-carboxyethyl]oxiran-2-yl]-4-oxobutan-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-oxopropanoic acid