Geometry & MOs

Info

ID:	209561
PubChem CID:	80687970
Reduced:	ClSO2N3H8C12 (1)
Stoich.:	ABC2D3E8F12 (1)
Weight, g/mol:	309.973439
ΔH_f, kcal/mol:	-5.99
Dipole, Da:	5.32
IP(EA), eV:	-9.04(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-(chloromethyl)-2-quinolin-8-yloxy-1,3-thiazole

Drug info:

PubChemData

Smile

C1C(=O)NC2=CC=CC=C2N1C3=NC(=C(S3)C=O)Cl

DOS

IR

Vibrations