Geometry & MOs
Info
ID: |
308533 |
PubChem CID: |
125333423 |
Reduced: |
ClO2F3H3N3C8 (1) |
Stoich.: |
AB2C3D3E3F8 (1) |
Weight, g/mol: |
554.309098 |
ΔHf, kcal/mol: |
-82.58 |
Dipole, Da: |
0.55 |
IP(EA), eV: |
-10.8(-3.08) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2R,3R,4R,5S,6R)-6-[(3R)-3-[(3R,5S,7S,8S,9R,10R,13S,14R,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid