Geometry & MOs
Info
ID: |
394702 |
PubChem CID: |
135023572 |
Reduced: |
ClON2H11C13 (1) |
Stoich.: |
ABC2D11E13 (1) |
Weight, g/mol: |
778.19328 |
ΔHf, kcal/mol: |
49.23 |
Dipole, Da: |
4.52 |
IP(EA), eV: |
-8.76(-1.25) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
methyl 4-(48-phenyl-48-henicosacyclo[12.7.7.73,24.66,26.318,20.213,28.116,27.110,30.140,41.05,42.09,36.022,44.023,45.025,46.029,33.031,47.032,39.034,40.035,49.037,41.038,43]nonatetraconta-1(21),3,5,7,9,11,13,15,18(47),19,22(44),23,25,27(31),28,30(49),32,34,36,38,42,45-docosaenyl)butanoate