Geometry & MOs
Info
ID: |
192208 |
PubChem CID: |
78244493 |
Reduced: |
NO7H28C30 (1) |
Stoich.: |
AB7C28D30 (1) |
Weight, g/mol: |
586.122626 |
ΔHf, kcal/mol: |
-173.46 |
Dipole, Da: |
6.88 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.817413 |
Charge, e: |
0 |
Chem-info
IUPAC name:
5-(3,4-dichlorobenzoyl)-9-(3-fluorophenyl)-6-(4-methoxyphenyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one