Geometry & MOs
Info
ID: |
162897 |
PubChem CID: |
57578304 |
Reduced: |
ClN2O8H40C60 (1) |
Stoich.: |
AB2C8D40E60 (1) |
Weight, g/mol: |
634.172185 |
ΔHf, kcal/mol: |
407.84 |
Dipole, Da: |
19.62 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 2.056870 |
Charge, e: |
0 |
Chem-info
IUPAC name:
5,14-dimethyl-23,32-bis(methylsulfanyl)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene