Geometry & MOs

Info

ID:	231455
PubChem CID:	87573772
Reduced:	NSF3O3C11H16 (1)
Stoich.:	ABC3D3E11F16 (1)
Weight, g/mol:	424.100141
ΔH_f, kcal/mol:	-292.52
Dipole, Da:	5.0
IP(EA), eV:	-9.57(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-(4-chlorophenyl)-5-fluoro-3-[(E)-2-fluoroethenyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

C1C[C@H]([C@@](C1)(CCCN)C(=O)OC(=O)C(F)(F)F)S

DOS

IR

Vibrations