Geometry & MOs

Info

ID:	154333
PubChem CID:	56313749
Reduced:	ClFO3N4H22C25 (1)
Stoich.:	ABC3D4E22F25 (1)
Weight, g/mol:	419.131506
ΔH_f, kcal/mol:	-62.35
Dipole, Da:	5.09
IP(EA), eV:	-9.34(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-(1-methylsulfonylpiperidin-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=NC=C(C=C2)Cl)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations