Geometry & MOs

Info

ID:	291680
PubChem CID:	113459527
Reduced:	SN2O3C12H18 (1)
Stoich.:	AB2C3D12E18 (1)
Weight, g/mol:	285.002656
ΔH_f, kcal/mol:	-114.37
Dipole, Da:	2.31
IP(EA), eV:	-9.13(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-3-fluorophenyl)-4-ethyl-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C(SC(=N1)C2CNCCO2)C(=O)OCC

DOS

IR

Vibrations