Geometry & MOs

Info

ID:	284356
PubChem CID:	104045835
Reduced:	ClFNSC13H13 (1)
Stoich.:	ABCDE13F13 (1)
Weight, g/mol:	288.989504
ΔH_f, kcal/mol:	-22.3
Dipole, Da:	2.56
IP(EA), eV:	-9.32(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-fluorophenyl)-4-(3-chloropropyl)-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)C2=NC(=CS2)CCCCl

DOS

IR

Vibrations