Geometry & MOs

Info

ID:	122880
PubChem CID:	50825298
Reduced:	FSO3N4H21C23 (1)
Stoich.:	ABC3D4E21F23 (1)
Weight, g/mol:	466.258006
ΔH_f, kcal/mol:	-73.15
Dipole, Da:	4.59
IP(EA), eV:	-8.79(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[1-(6-acetamido-4-methylquinolin-2-yl)piperidine-4-carbonyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C(=N3)C4=CC=C(C=C4)C(=O)NC)C)F

DOS

IR

Vibrations