Geometry & MOs

Info

ID:	121237
PubChem CID:	50759640
Reduced:	SO2N3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	395.166748
ΔH_f, kcal/mol:	-15.03
Dipole, Da:	5.83
IP(EA), eV:	-8.39(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethylphenyl)-6-piperidin-1-ylsulfonylquinolin-2-amine

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3)N4CCC5=CC=CC=C54

DOS

IR

Vibrations