Geometry & MOs

Info

ID:	158325
PubChem CID:	56463359
Reduced:	BrN3O3C18H24 (1)
Stoich.:	AB3C3D18E24 (1)
Weight, g/mol:	472.158055
ΔH_f, kcal/mol:	-49.04
Dipole, Da:	0.81
IP(EA), eV:	-8.89(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopropyl(methyl)amino]propyl]-6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C#N)Br)OCC(=O)NCC(C)N(C)C2CC2

DOS

IR

Vibrations