Geometry & MOs

Info

ID:	154949
PubChem CID:	56314505
Reduced:	ClF3N3O4C23H25 (1)
Stoich.:	AB3C3D4E23F25 (1)
Weight, g/mol:	452.168225
ΔH_f, kcal/mol:	-285.94
Dipole, Da:	7.25
IP(EA), eV:	-8.82(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)N2CCC(CC2)C(=O)NC3=NC=C(C=C3)Cl)OCC(F)(F)F

DOS

IR

Vibrations