Geometry & MOs

Info

ID:	77921
PubChem CID:	49674599
Reduced:	ClSN2O2F3H10C17 (1)
Stoich.:	ABC2D2E3F10G17 (1)
Weight, g/mol:	444.216141
ΔH_f, kcal/mol:	-156.47
Dipole, Da:	9.98
IP(EA), eV:	-9.76(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-cyano-6-ethoxyquinolin-4-yl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)S(=O)(=O)C(=CN2C3=CC(=C(C=C3)Cl)C(F)(F)F)C#N

DOS

IR

Vibrations