Geometry & MOs

Info

ID:	140299
PubChem CID:	52679040
Reduced:	ClSO2N4C21H23 (1)
Stoich.:	ABC2D4E21F23 (1)
Weight, g/mol:	328.114254
ΔH_f, kcal/mol:	-10.13
Dipole, Da:	7.74
IP(EA), eV:	-8.56(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-[(5-chloroquinolin-8-yl)methyl]-1-(4-fluorophenyl)-N-methylethanamine

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(N1CC3=C(N(N=C3C)CC4=CC=CC=C4)Cl)C=CC(=C2)S(=O)(=O)N

DOS

IR

Vibrations