Geometry & MOs

Info

ID:	293176
PubChem CID:	117375880
Reduced:	NSF2O2C10H13 (1)
Stoich.:	ABC2D2E10F13 (1)
Weight, g/mol:	249.045964
ΔH_f, kcal/mol:	-161.13
Dipole, Da:	6.54
IP(EA), eV:	-9.79(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-methyl-5-methylsulfanylphenyl)-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(CN)C1=C(C(=C(C=C1)S(=O)(=O)C)F)F

DOS

IR

Vibrations