Geometry & MOs
Info
ID: |
437210 |
PubChem CID: |
135215928 |
Reduced: |
N2O2F3C15H21 (1) |
Stoich.: |
A2B2C3D15E21 (1) |
Weight, g/mol: |
1194.339874 |
ΔHf, kcal/mol: |
-243.74 |
Dipole, Da: |
5.48 |
IP(EA), eV: |
-9.92(-0.4) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
5-[2-[(1S)-2-[4-[5-(3-carbamoyl-4-fluorophenyl)-6-[(1S)-1-[[2-[9-(difluoromethyl)-5-oxo-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]pyridin-3-yl]-3,5-difluorophenyl]-1-[[2-[5-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]acetyl]amino]ethyl]pyridin-3-yl]-2-fluorobenzamide