Geometry & MOs

Info

ID:	187383
PubChem CID:	77567634
Reduced:	SN4O5H10C11 (1)
Stoich.:	AB4C5D10E11 (1)
Weight, g/mol:	287.040542
ΔH_f, kcal/mol:	-132.15
Dipole, Da:	3.4
IP(EA), eV:	-10.06(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-oxo-6-(trifluoromethoxy)-3H-quinolin-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1C(C(=O)C(=O)C1N2C3=NC(=NC(=O)C3SC2=O)N)CO

DOS

IR

Vibrations