Geometry & MOs

Info

ID:	153892
PubChem CID:	56313227
Reduced:	FSO3N4H21C23 (1)
Stoich.:	ABC3D4E21F23 (1)
Weight, g/mol:	449.191483
ΔH_f, kcal/mol:	-49.77
Dipole, Da:	4.53
IP(EA), eV:	-9.23(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)C(=O)NC4=NC=CS4

DOS

IR

Vibrations