Geometry & MOs

Info

ID:	373928
PubChem CID:	131321370
Reduced:	BrClSO2H6C10 (1)
Stoich.:	ABCD2E6F10 (1)
Weight, g/mol:	223.012556
ΔH_f, kcal/mol:	-52.93
Dipole, Da:	4.91
IP(EA), eV:	-9.46(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-carbaldehyde

Drug info:

PubChemData

Smile

C1=C2C=C(SC2=CC(=C1Br)C(=O)O)CCl

DOS

IR

Vibrations