Geometry & MOs

Info

ID:	435697
PubChem CID:	135192186
Reduced:	SN2O3F7H17C20 (1)
Stoich.:	AB2C3D7E17F20 (1)
Weight, g/mol:	466.094981
ΔH_f, kcal/mol:	-425.74
Dipole, Da:	4.84
IP(EA), eV:	-8.86(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-propyl-6-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]methylsulfanylamino]-3,4-dihydroquinolin-2-one

Drug info:

PubChemData

Smile

CCCN1C(=O)CCC2=C1C=CC(=C2)NS(=O)(=O)CC3=C(C(=C(C(=C3F)F)C(F)(F)F)F)F

DOS

IR

Vibrations