Geometry & MOs

Info

ID:	153469
PubChem CID:	56312686
Reduced:	O2N3C26H31 (1)
Stoich.:	A2B3C26D31 (1)
Weight, g/mol:	419.131506
ΔH_f, kcal/mol:	-10.63
Dipole, Da:	3.84
IP(EA), eV:	-8.96(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)C(=O)NCC2=CC=CC=C2C3=CC=C(C=C3)CN4CCCC4

DOS

IR

Vibrations