Geometry & MOs
Info
ID: |
301591 |
PubChem CID: |
123087233 |
Reduced: |
BrSO4N5C22H24 (1) |
Stoich.: |
ABC4D5E22F24 (1) |
Weight, g/mol: |
536.08816 |
ΔHf, kcal/mol: |
46.99 |
Dipole, Da: |
8.61 |
IP(EA), eV: |
-9.26(-2.11) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(6E)-6-[[[3-[(4-bromophenyl)methylsulfanyl]-5-(2-phenylethyl)-1,2,4-triazol-4-yl]amino]methylidene]-2-ethoxycyclohexa-2,4-dien-1-one