Geometry & MOs

Info

ID:	407096
PubChem CID:	135079332
Reduced:	NSF3O3C10H12 (1)
Stoich.:	ABC3D3E10F12 (1)
Weight, g/mol:	293.061885
ΔH_f, kcal/mol:	-251.46
Dipole, Da:	4.29
IP(EA), eV:	-8.98(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2-chloro-4-fluoroanilino)benzoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CCNS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations