Geometry & MOs

Info

ID:	177343
PubChem CID:	76170139
Reduced:	SO2N3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	402.99678
ΔH_f, kcal/mol:	-1.94
Dipole, Da:	5.12
IP(EA), eV:	-9.17(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-[(3-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-4aH-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CN2CCC1C3=C2C=C4C5=NC(=O)C=C(C5SC4=N3)O

DOS

IR

Vibrations