Geometry & MOs

Info

ID:	155637
PubChem CID:	56366506
Reduced:	SN3O4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	411.19582
ΔH_f, kcal/mol:	-113.8
Dipole, Da:	7.78
IP(EA), eV:	-9.23(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)CNC(=O)C3=CC(=O)NC4=CC=CC=C43

DOS

IR

Vibrations