Geometry & MOs

Info

ID:	154545
PubChem CID:	56314005
Reduced:	SN2F3O3C23H29 (1)
Stoich.:	AB2C3D3E23F29 (1)
Weight, g/mol:	455.131506
ΔH_f, kcal/mol:	-247.78
Dipole, Da:	3.0
IP(EA), eV:	-8.84(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[4-(propylsulfonylamino)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NCC2CCCN(C2)CC3=CC=CS3)OCC(F)(F)F

DOS

IR

Vibrations