Geometry & MOs

Info

ID:	44278
PubChem CID:	10502382
Reduced:	FSN3O6C18H18 (1)
Stoich.:	ABC3D6E18F18 (1)
Weight, g/mol:	423.19582
ΔH_f, kcal/mol:	-154.85
Dipole, Da:	7.48
IP(EA), eV:	-9.36(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-fluoro-1-[(4-methylphenyl)methyl]-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CO/N=C\1/C[C@@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)F)C(=O)NO

DOS

IR

Vibrations