Geometry & MOs

Info

ID:	154628
PubChem CID:	56314106
Reduced:	F3N3O3C25H32 (1)
Stoich.:	A3B3C3D25E32 (1)
Weight, g/mol:	438.152575
ΔH_f, kcal/mol:	-241.81
Dipole, Da:	7.29
IP(EA), eV:	-8.0(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(CNC(=O)CCC1=CC(=C(C=C1)OCC(F)(F)F)OC)N2CCN(CC2)C3=CC=CC=C3

DOS

IR

Vibrations