Geometry & MOs

Info

ID:	12939
PubChem CID:	218919
Reduced:	OSN2F3C18H21 (1)
Stoich.:	ABC2D3E18F21 (1)
Weight, g/mol:	370.132669
ΔH_f, kcal/mol:	-158.58
Dipole, Da:	2.48
IP(EA), eV:	-8.66(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[4-(trifluoromethyl)quinolin-2-yl]oxypentyl]-1,3-thiazolidine

Drug info:

PubChemData

Smile

C1CSCN1CCCCCOC2=NC3=CC=CC=C3C(=C2)C(F)(F)F

DOS

IR

Vibrations