Geometry & MOs

Info

ID:	144169
PubChem CID:	53326145
Reduced:	N4C19H20 (1)
Stoich.:	A4B19C20 (1)
Weight, g/mol:	446.146427
ΔH_f, kcal/mol:	106.05
Dipole, Da:	5.88
IP(EA), eV:	-7.79(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-3-methylsulfinyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=N/C(=C\3/C4=C(C=CC(=C4)NC(C)C)NN3)/C=C2C=C1

DOS

IR

Vibrations