Geometry & MOs

Info

ID:	22943
PubChem CID:	600084
Reduced:	NOSF6H13C15 (1)
Stoich.:	ABCD6E13F15 (1)
Weight, g/mol:	369.062204
ΔH_f, kcal/mol:	-337.41
Dipole, Da:	8.36
IP(EA), eV:	-8.96(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-3-(1,1,2,3,3,3-hexafluoropropylsulfanyl)-2-methyl-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)NC(=C(C2=O)SC(C(C(F)(F)F)F)(F)F)C

DOS

IR

Vibrations