Geometry & MOs
Info
ID: |
336665 |
PubChem CID: |
127255672 |
Reduced: |
BrSH9C10 (1) |
Stoich.: |
ABC9D10 (1) |
Weight, g/mol: |
643.339018 |
ΔHf, kcal/mol: |
23.04 |
Dipole, Da: |
3.24 |
IP(EA), eV: |
-8.67(-0.58) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S,3S)-2,3-dihydroxybutanedioic acid;[(1R,2R,3S,4S,6R,7S,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-(diethylamino)ethylsulfanyl]acetate