Geometry & MOs
Info
ID: |
445532 |
PubChem CID: |
135267719 |
Reduced: |
BrN3C7H8 (1) |
Stoich.: |
AB3C7D8 (1) |
Weight, g/mol: |
697.148139 |
ΔHf, kcal/mol: |
62.03 |
Dipole, Da: |
3.04 |
IP(EA), eV: |
-8.48(-0.28) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
[4-[4-[[(Z)-3-amino-1-cyclopropyl-4,4,4-trifluorobut-2-enylidene]amino]-3-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]phenyl]-2-fluoro-6-methylsulfonylphenyl]methanol