Geometry & MOs

Info

ID:	375706
PubChem CID:	134220878
Reduced:	BrClNSO2H21C22 (1)
Stoich.:	ABCDE2F21G22 (1)
Weight, g/mol:	472.9055
ΔH_f, kcal/mol:	-55.35
Dipole, Da:	4.94
IP(EA), eV:	-9.24(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-8-bromo-5-chloro-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CC(=O)C1=C(NC2=C(C=CC(=C2C1=O)Cl)Br)SCC3=CC=C(C=C3)C(C)(C)C

DOS

IR

Vibrations