Geometry & MOs
Info
ID: |
191840 |
PubChem CID: |
78193114 |
Reduced: |
O6C13H20 (1) |
Stoich.: |
A6B13C20 (1) |
Weight, g/mol: |
956.314798 |
ΔHf, kcal/mol: |
-262.15 |
Dipole, Da: |
7.12 |
IP(EA), eV: |
-9.82(-0.27) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one;2-pentylsulfanyl-1,3-benzothiazol-6-amine