Geometry & MOs
Info
ID: |
320547 |
PubChem CID: |
126661718 |
Reduced: |
FON3C21H26 (1) |
Stoich.: |
ABC3D21E26 (1) |
Weight, g/mol: |
1225.370977 |
ΔHf, kcal/mol: |
-61.71 |
Dipole, Da: |
2.17 |
IP(EA), eV: |
-8.71(-0.21) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
2-[5-[4-[3-[[2-[2-[5-cyano-2-[4-[3-[[2-(4-cyanophenyl)-1,3-thiazole-4-carbonyl]amino]pyridin-4-yl]piperazin-2-yl]phenyl]-1,3-thiazol-4-yl]-2-oxoethyl]amino]pyridin-4-yl]piperazin-2-yl]-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-N-(4-piperazin-1-ylpyridin-3-yl)-1,3-thiazole-4-carboxamide