Geometry & MOs

Info

ID:	86522
PubChem CID:	49886606
Reduced:	NSF3O5C14H18 (1)
Stoich.:	ABC3D5E14F18 (1)
Weight, g/mol:	317.109707
ΔH_f, kcal/mol:	-367.65
Dipole, Da:	5.5
IP(EA), eV:	-9.41(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-(N-ethylsulfonyl-2-fluoro-4-methylanilino)acetate

Drug info:

PubChemData

Smile

CCS(=O)(=O)N(CC(=O)OC(C)C)C1=CC=C(C=C1)OC(F)(F)F

DOS

IR

Vibrations