Geometry & MOs

Info

ID:	153408
PubChem CID:	56312599
Reduced:	F3N3O3C23H28 (1)
Stoich.:	A3B3C3D23E28 (1)
Weight, g/mol:	495.162806
ΔH_f, kcal/mol:	-245.48
Dipole, Da:	3.89
IP(EA), eV:	-8.73(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NCC2=C(N=CC=C2)N3CCCCC3)OCC(F)(F)F

DOS

IR

Vibrations