Geometry & MOs

Info

ID:	68239
PubChem CID:	46508030
Reduced:	SN3O5C23H23 (1)
Stoich.:	AB3C5D23E23 (1)
Weight, g/mol:	440.099534
ΔH_f, kcal/mol:	-118.82
Dipole, Da:	10.09
IP(EA), eV:	-8.6(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=CC=C(C=C1)CC2=CC=NC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations