Geometry & MOs

Info

ID:	387825
PubChem CID:	134987062
Reduced:	FNOC5H5 (2)
Stoich.:	ABCD5E5 (2)
Weight, g/mol:	237.028206
ΔH_f, kcal/mol:	-120.8
Dipole, Da:	5.08
IP(EA), eV:	-9.46(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-6-methylsulfanyl-2-sulfanylquinolin-4-one

Drug info:

PubChemData

Smile

CC1=C(CN2C(=O)C(=C(C(=O)N2C1)F)F)C

DOS

IR

Vibrations