Geometry & MOs

Info

ID:	375707
PubChem CID:	134220880
Reduced:	BrFNSCl2O2H11C18 (1)
Stoich.:	ABCDE2F2G11H18 (1)
Weight, g/mol:	476.963861
ΔH_f, kcal/mol:	-85.85
Dipole, Da:	5.45
IP(EA), eV:	-9.37(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-5,8-dichloro-2-[[4-(trifluoromethylsulfanyl)phenyl]methylsulfanyl]-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CC(=O)C1=C(NC2=C(C=CC(=C2C1=O)Cl)Br)SCC3=C(C=CC=C3Cl)F

DOS

IR

Vibrations