Geometry & MOs

Info

ID:	154334
PubChem CID:	56313750
Reduced:	FSN3O4C20H22 (1)
Stoich.:	ABC3D4E20F22 (1)
Weight, g/mol:	418.169271
ΔH_f, kcal/mol:	-139.42
Dipole, Da:	6.85
IP(EA), eV:	-9.34(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-1-(2-methyl-6-phenylmorpholin-4-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCC(C1)NC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations