Geometry & MOs

Info

ID:	59754
PubChem CID:	24895853
Reduced:	ICl2N2F3O4H16C21 (1)
Stoich.:	AB2C2D3E4F16G21 (1)
Weight, g/mol:	285.062363
ΔH_f, kcal/mol:	-243.79
Dipole, Da:	3.69
IP(EA), eV:	-10.08(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-fluorophenyl)sulfanyl-1-methylquinolin-2-one

Drug info:

PubChemData

Smile

CC(C)OC(=O)NC(=O)C1=C(C=C(C=C1)C2=NOC(C2)(C3=CC(=CC(=C3)Cl)Cl)C(F)(F)F)I

DOS

IR

Vibrations