Geometry & MOs

Info

ID:	160841
PubChem CID:	57389954
Reduced:	NSF3H13C17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	370.162946
ΔH_f, kcal/mol:	-92.53
Dipole, Da:	5.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.133565
Charge, e:	1

Chem-info

IUPAC name:

1-(4-phenylbutyl)-3-phenylsulfanylquinolin-1-ium

Drug info:

PubChemData

Smile

C[N+]1=CC(=CC2=CC=CC=C21)SC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations