Geometry & MOs

Info

ID:	373939
PubChem CID:	131321532
Reduced:	NSO2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	256.971355
ΔH_f, kcal/mol:	-46.77
Dipole, Da:	2.31
IP(EA), eV:	-8.25(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-fluorophenyl)-4-oxo-1,3-thiazole-5-carbaldehyde

Drug info:

PubChemData

Smile

CN1C2=C(C=C1C(=O)O)C3=C(C=C2)SCC3

DOS

IR

Vibrations