Geometry & MOs

Info

ID:	372662
PubChem CID:	131301772
Reduced:	NSO2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	218.069142
ΔH_f, kcal/mol:	-60.64
Dipole, Da:	3.06
IP(EA), eV:	-8.16(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-(6-methylpyridin-3-yl)-1,2-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C2C(CCCSC2=C(C=C1)OC)N

DOS

IR

Vibrations