Geometry & MOs

Info

ID:	154642
PubChem CID:	56314127
Reduced:	FCl2O2N3H14C20 (1)
Stoich.:	AB2C2D3E14F20 (1)
Weight, g/mol:	437.157326
ΔH_f, kcal/mol:	-36.18
Dipole, Da:	4.54
IP(EA), eV:	-8.43(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)OC2=C(C=C(C=C2)/C=C/C(=O)NC3=CC(=C(C(=C3)Cl)N)Cl)F

DOS

IR

Vibrations