Geometry & MOs

Info

ID:	83979
PubChem CID:	49863028
Reduced:	SN3O5C33H41 (1)
Stoich.:	AB3C5D33E41 (1)
Weight, g/mol:	326.00662
ΔH_f, kcal/mol:	-178.46
Dipole, Da:	9.9
IP(EA), eV:	-9.36(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-(3-fluoropropyl)-4-oxo-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1CCCCC1)NC[C@H]([C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC(=C3)CS(=O)(=O)C4=CC=CC=C4)O

DOS

IR

Vibrations