Geometry & MOs

Info

ID:	154184
PubChem CID:	56313587
Reduced:	FSN3O4H22C23 (1)
Stoich.:	ABC3D4E22F23 (1)
Weight, g/mol:	372.127406
ΔH_f, kcal/mol:	-103.5
Dipole, Da:	4.81
IP(EA), eV:	-9.41(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-(3-phenylprop-2-ynyl)prop-2-enamide

Drug info:

PubChemData

Smile

CNS(=O)(=O)CC1=CC=C(C=C1)CNC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations