Geometry & MOs

Info

ID:	69410
PubChem CID:	47169953
Reduced:	FNO2H14C15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	306.005218
ΔH_f, kcal/mol:	-58.78
Dipole, Da:	6.23
IP(EA), eV:	-7.96(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-chloroquinolin-8-yl)methylsulfanyl]-4-methyl-1,3-thiazole

Drug info:

PubChemData

Smile

COC1=CC=C/C(=C\NCC2=CC(=CC=C2)F)/C1=O

DOS

IR

Vibrations