Geometry & MOs

Info

ID:	17130
PubChem CID:	485117
Reduced:	SN2O3H16C17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	328.088164
ΔH_f, kcal/mol:	-80.7
Dipole, Da:	11.99
IP(EA), eV:	-9.46(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethyl-4-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=NC(=C(S3)C)C)C(=O)O

DOS

IR

Vibrations