Geometry & MOs
Info
ID: |
312630 |
PubChem CID: |
126606996 |
Reduced: |
PSC13H24 (1) |
Stoich.: |
ABC13D24 (1) |
Weight, g/mol: |
620.200189 |
ΔHf, kcal/mol: |
-42.54 |
Dipole, Da: |
4.55 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.761252 |
Charge, e: |
0 |
Chem-info
IUPAC name:
14-[4-(3-chloro-2,6-difluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-4-[(E)-3-hydroxyprop-2-enoyl]-10-methyl-5-(methylamino)-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-9-one