Geometry & MOs
Info
ID: |
402506 |
PubChem CID: |
135056222 |
Reduced: |
BrNOC16H18 (1) |
Stoich.: |
ABCD16E18 (1) |
Weight, g/mol: |
813.45107 |
ΔHf, kcal/mol: |
2.07 |
Dipole, Da: |
3.81 |
IP(EA), eV: |
-7.92(0.01) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
[(4S,5S,6S,7R,9R,10R,11E,13E,16R)-6-[4-(dimethylamino)-3-hydroxy-5-(4-hydroxy-4,6-dimethyl-5-propanoyloxyoxan-2-yl)oxy-6-methyloxan-2-yl]oxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] propanoate