Geometry & MOs

Info

ID:	121546
PubChem CID:	50772963
Reduced:	BrFON3H11C16 (1)
Stoich.:	ABCD3E11F16 (1)
Weight, g/mol:	525.20459
ΔH_f, kcal/mol:	11.89
Dipole, Da:	5.69
IP(EA), eV:	-8.97(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3-methylphenyl)sulfonylamino]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]quinoline-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)C2=CN(N=C2)C3=CC=C(C=C3)F)Br

DOS

IR

Vibrations