Geometry & MOs

Info

ID:	139417
PubChem CID:	52527272
Reduced:	SF2O2N3H12C19 (1)
Stoich.:	AB2C2D3E12F19 (1)
Weight, g/mol:	324.077993
ΔH_f, kcal/mol:	-20.71
Dipole, Da:	4.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.115307
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-(4-methylsulfonylphenoxy)propanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=CN2C3=CC=C(C=C3)[N-]S(=O)(=O)C4=C(C=CC=C4F)F

DOS

IR

Vibrations