Geometry & MOs

Info

ID:	284364
PubChem CID:	104045851
Reduced:	ClFNOSC13H13 (1)
Stoich.:	ABCDEF13G13 (1)
Weight, g/mol:	365.95931
ΔH_f, kcal/mol:	-51.24
Dipole, Da:	5.45
IP(EA), eV:	-8.87(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromoquinolin-2-yl)-4-(3-chloropropyl)-1,3-thiazole

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)F)C2=NC(=CS2)CCCCl

DOS

IR

Vibrations