Geometry & MOs

Info

ID:	154307
PubChem CID:	56313720
Reduced:	N2F3O3C23H27 (1)
Stoich.:	A2B3C3D23E27 (1)
Weight, g/mol:	419.131506
ΔH_f, kcal/mol:	-248.44
Dipole, Da:	1.49
IP(EA), eV:	-8.5(-0.04)
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]methanesulfonamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)NCC2=CC=C(C=C2)N3CCCC3)OCC(F)(F)F

DOS

IR

Vibrations