Geometry & MOs
Info
ID: |
163496 |
PubChem CID: |
58005271 |
Reduced: |
NC2H4 (3) |
Stoich.: |
AB2C4 (3) |
Weight, g/mol: |
414.103814 |
ΔHf, kcal/mol: |
45.13 |
Dipole, Da: |
2.52 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.771669 |
Charge, e: |
0 |
Chem-info
IUPAC name:
5-[(1R)-6-(4-isocyanonaphthalen-1-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazolidine-2,4-dione