Geometry & MOs
Info
ID: |
231870 |
PubChem CID: |
87574825 |
Reduced: |
NO2C6H16 (1) |
Stoich.: |
AB2C6D16 (1) |
Weight, g/mol: |
1105.333542 |
ΔHf, kcal/mol: |
-47.97 |
Dipole, Da: |
4.57 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.751033 |
Charge, e: |
0 |
Chem-info
IUPAC name:
6-[(1S)-1-[(3S,4S)-3-(4-chlorophenyl)-1-(4-methylsulfonylpiperazine-1-carbonyl)piperidin-4-yl]ethoxy]pyridine-3-carbonitrile;[(3S,4S)-3-(4-chlorophenyl)-4-[(1S)-1-[5-(trifluoromethyl)pyridin-2-yl]oxyethyl]piperidin-1-yl]-(4-methylsulfonylpiperazin-1-yl)methanone