Geometry & MOs

Info

ID:	153280
PubChem CID:	56312456
Reduced:	S2O3N4H20C22 (1)
Stoich.:	A2B3C4D20E22 (1)
Weight, g/mol:	489.169999
ΔH_f, kcal/mol:	1.15
Dipole, Da:	5.29
IP(EA), eV:	-8.62(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)NC3=CN(N=C3)CC4=CC=CC=C4

DOS

IR

Vibrations