Geometry & MOs

Info

ID:	154537
PubChem CID:	56313994
Reduced:	FN3O3H22C24 (1)
Stoich.:	AB3C3D22E24 (1)
Weight, g/mol:	416.120607
ΔH_f, kcal/mol:	-57.04
Dipole, Da:	3.27
IP(EA), eV:	-8.34(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(1,1-dioxothiolan-3-yl)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-prop-2-enylprop-2-enamide

Drug info:

PubChemData

Smile

C1COCCN1C2=CC=CC(=C2)NC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations