Geometry & MOs

Info

ID:	154746
PubChem CID:	56314262
Reduced:	ClFN3O3H21C24 (1)
Stoich.:	ABC3D3E21F24 (1)
Weight, g/mol:	433.155018
ΔH_f, kcal/mol:	-84.23
Dipole, Da:	4.34
IP(EA), eV:	-8.8(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)OC2=C(C=C(C=C2)/C=C/C(=O)NCCCC(=O)NC3=CC=C(C=C3)Cl)F

DOS

IR

Vibrations