Geometry & MOs

Info

ID:	291683
PubChem CID:	113459542
Reduced:	SO2N3H11C13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	281.052193
ΔH_f, kcal/mol:	-4.07
Dipole, Da:	9.32
IP(EA), eV:	-9.31(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-2-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C(SC(=N1)C2=CN3C=CC=CC3=N2)C(=O)O

DOS

IR

Vibrations