Geometry & MOs

Info

ID:	59755
PubChem CID:	24895893
Reduced:	FNOSH12C16 (1)
Stoich.:	ABCDE12F16 (1)
Weight, g/mol:	334.99384
ΔH_f, kcal/mol:	-27.93
Dipole, Da:	2.21
IP(EA), eV:	-8.84(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dichlorophenyl)sulfanyl-1-methylquinolin-2-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=CC1=O)SC3=CC=CC=C3F

DOS

IR

Vibrations