Geometry & MOs

Info

ID:	153359
PubChem CID:	56312545
Reduced:	BrN3O4H18C22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	495.162806
ΔH_f, kcal/mol:	-70.04
Dipole, Da:	4.05
IP(EA), eV:	-9.29(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations