Geometry & MOs

Info

ID:	66378
PubChem CID:	46504473
Reduced:	SO2N3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	410.191818
ΔH_f, kcal/mol:	2.05
Dipole, Da:	4.01
IP(EA), eV:	-8.12(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2,6-difluorobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)/C=C/C3=CC=CS3)N4CCOCC4

DOS

IR

Vibrations