Geometry & MOs
Info
ID: |
439659 |
PubChem CID: |
135229446 |
Reduced: |
OSN3C14H21 (1) |
Stoich.: |
ABC3D14E21 (1) |
Weight, g/mol: |
591.245016 |
ΔHf, kcal/mol: |
-11.79 |
Dipole, Da: |
5.0 |
IP(EA), eV: |
-8.36(0.01) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(3S)-N-[(2E)-2-[(5E)-3-(2-methylpyridin-4-yl)-5-prop-2-enylidene-1H-pyrazol-4-ylidene]ethyl]-3-methylsulfanyl-1-[2-oxo-2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethyl]pyrrolidine-3-carboxamide