Geometry & MOs

Info

ID:	56090
PubChem CID:	17404336
Reduced:	SN2O3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	317.038961
ΔH_f, kcal/mol:	-89.25
Dipole, Da:	4.82
IP(EA), eV:	-8.84(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)quinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1COC(=CO1)C(=O)NC2=NC(=CS2)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations