Geometry & MOs

Info

ID:	376080
PubChem CID:	134222083
Reduced:	Cl2F3N5H14C19 (1)
Stoich.:	A2B3C5D14E19 (1)
Weight, g/mol:	317.089721
ΔH_f, kcal/mol:	-56.49
Dipole, Da:	4.6
IP(EA), eV:	-8.86(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(fluoromethyl)-5-[4-(fluoromethylsulfinyl)phenyl]-2,2-dimethyl-1,3-oxazolidine-3-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1/C=C/C(C2=CC(=CC(=C2)Cl)Cl)C(F)(F)F)C#N)N=CN=C(N)N

DOS

IR

Vibrations