Geometry & MOs

Info

ID:	145879
PubChem CID:	53606189
Reduced:	SF2N2O3C14H14 (1)
Stoich.:	AB2C2D3E14F14 (1)
Weight, g/mol:	339.104148
ΔH_f, kcal/mol:	-186.64
Dipole, Da:	5.11
IP(EA), eV:	-9.08(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(3-quinolin-8-yloxypropyl)-3-(1,3-thiazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=O)N(C=C1)CCCNC(=O)C2=C(C=CS2)OC(F)F

DOS

IR

Vibrations