Geometry & MOs

Info

ID:	291681
PubChem CID:	113459533
Reduced:	ClFNSO2H9C12 (1)
Stoich.:	ABCDE2F9G12 (1)
Weight, g/mol:	289.023121
ΔH_f, kcal/mol:	-92.2
Dipole, Da:	3.52
IP(EA), eV:	-9.78(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-benzothiophen-3-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C(SC(=N1)C2=CC(=C(C=C2)Cl)F)C(=O)O

DOS

IR

Vibrations