Geometry & MOs

Info

ID:	154424
PubChem CID:	56313859
Reduced:	S2F3O3N4H19C20 (1)
Stoich.:	A2B3C3D4E19F20 (1)
Weight, g/mol:	433.147156
ΔH_f, kcal/mol:	-204.98
Dipole, Da:	5.52
IP(EA), eV:	-8.59(-1.42)
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-2-yl]methyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)NCCNC3=C(C=CC=N3)C(F)(F)F

DOS

IR

Vibrations