Geometry & MOs

Info

ID:	68758
PubChem CID:	46509036
Reduced:	OS3N4C17H20 (1)
Stoich.:	AB3C4D17E20 (1)
Weight, g/mol:	365.106336
ΔH_f, kcal/mol:	52.64
Dipole, Da:	3.16
IP(EA), eV:	-8.42(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (E)-3-quinolin-2-ylprop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CS2)CSC3=NN=C(S3)NC4CCCCC4

DOS

IR

Vibrations