Geometry & MOs

Info

ID:	86524
PubChem CID:	49886609
Reduced:	NSO5C13H19 (1)
Stoich.:	ABC5D13E19 (1)
Weight, g/mol:	317.109707
ΔH_f, kcal/mol:	-192.33
Dipole, Da:	3.44
IP(EA), eV:	-8.94(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CN(C1=CC=CC=C1OC)S(=O)(=O)CC

DOS

IR

Vibrations