Geometry & MOs
Info
ID: |
231651 |
PubChem CID: |
87574382 |
Reduced: |
SnS6C9H17 (1) |
Stoich.: |
AB6C9D17 (1) |
Weight, g/mol: |
549.080396 |
ΔHf, kcal/mol: |
13.2 |
Dipole, Da: |
4.34 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.764632 |
Charge, e: |
0 |
Chem-info
IUPAC name:
(Z)-N-[[3-ethynyl-5-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-[2-phenylsulfanyl-6-(trifluoromethyl)pyridin-3-yl]prop-2-enamide