Geometry & MOs
Info
ID: |
309424 |
PubChem CID: |
126546192 |
Reduced: |
OC12H16 (1) |
Stoich.: |
AB12C16 (1) |
Weight, g/mol: |
917.364771 |
ΔHf, kcal/mol: |
-40.39 |
Dipole, Da: |
1.57 |
IP(EA), eV: |
-9.14(0.44) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[[1-[(4-carbamoylcyclohexyl)methyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-methylamino]propanoate