Geometry & MOs
Info
ID: |
53278 |
PubChem CID: |
14709994 |
Reduced: |
PN2C6H16 (1) |
Stoich.: |
AB2C6D16 (1) |
Weight, g/mol: |
676.413644 |
ΔHf, kcal/mol: |
-3.56 |
Dipole, Da: |
3.02 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.751599 |
Charge, e: |
0 |
Chem-info
IUPAC name:
6,14,22,30-tetratert-butyl-10,26-dithiapentacyclo[26.4.0.03,8.012,17.019,24]dotriaconta-1(28),3(8),4,6,12(17),13,15,19(24),20,22,29,31-dodecaene