Geometry & MOs

Info

ID:	153774
PubChem CID:	56313085
Reduced:	S2O3N4C25H30 (1)
Stoich.:	A2B3C4D25E30 (1)
Weight, g/mol:	460.227454
ΔH_f, kcal/mol:	-43.72
Dipole, Da:	7.02
IP(EA), eV:	-8.11(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)NCCCN3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations