Geometry & MOs

Info

ID:	153780
PubChem CID:	56313091
Reduced:	OF3N6C17H17 (1)
Stoich.:	AB3C6D17E17 (1)
Weight, g/mol:	499.137734
ΔH_f, kcal/mol:	-89.75
Dipole, Da:	2.46
IP(EA), eV:	-9.43(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)NCC2=C(N=CC=C2)N3C=CC=N3)C(F)(F)F

DOS

IR

Vibrations