Geometry & MOs

Info

ID:	425476
PubChem CID:	135126456
Reduced:	SF2O3N4C19H20 (1)
Stoich.:	AB2C3D4E19F20 (1)
Weight, g/mol:	253.011741
ΔH_f, kcal/mol:	-139.22
Dipole, Da:	8.33
IP(EA), eV:	-9.21(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(5-chloro-4-fluoropyridin-2-yl)-2,2-difluoroacetate

Drug info:

PubChemData

Smile

CC1(C(=NC(CS1(=O)=O)(C)C2=C(C=CC(=C2)C=C(C3=CNC(=O)C=N3)F)F)N)C

DOS

IR

Vibrations