Geometry & MOs

Info

ID:	154447
PubChem CID:	56313887
Reduced:	SF3O3N4C14H21 (1)
Stoich.:	AB3C3D4E14F21 (1)
Weight, g/mol:	426.104956
ΔH_f, kcal/mol:	-264.92
Dipole, Da:	7.18
IP(EA), eV:	-9.71(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(benzenesulfonyl)ethyl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)NC2CCCN(C2)S(=O)(=O)C)C(F)(F)F

DOS

IR

Vibrations