Geometry & MOs

Info

ID:	284359
PubChem CID:	104045841
Reduced:	ClNOSH12C14 (1)
Stoich.:	ABCDE12F14 (1)
Weight, g/mol:	297.075427
ΔH_f, kcal/mol:	20.34
Dipole, Da:	2.21
IP(EA), eV:	-8.97(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloropropyl)-2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(O2)C3=NC(=CS3)CCCCl

DOS

IR

Vibrations