Geometry & MOs
Info
ID: |
299570 |
PubChem CID: |
117687837 |
Reduced: |
OC13H22 (1) |
Stoich.: |
AB13C22 (1) |
Weight, g/mol: |
910.37739 |
ΔHf, kcal/mol: |
-71.94 |
Dipole, Da: |
2.15 |
IP(EA), eV: |
-9.3(1.29) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
benzenesulfonic acid;(5S)-4-(4,4-difluorocyclohexyl)-3-[(S)-fluoro-[4-(trifluoromethyl)phenyl]methyl]-2-[1-[5-(3-hydroxy-3-methylbutoxy)pyrimidin-2-yl]piperidin-4-yl]-7,7-dimethyl-6,8-dihydro-5H-quinolin-5-ol;hydrate