Geometry & MOs

Info

ID:	154173
PubChem CID:	56313576
Reduced:	OSF3N4C17H21 (1)
Stoich.:	ABC3D4E17F21 (1)
Weight, g/mol:	497.14207
ΔH_f, kcal/mol:	-139.66
Dipole, Da:	4.93
IP(EA), eV:	-8.86(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)N2CCN(CC2)CC3=CC=CS3)C(F)(F)F

DOS

IR

Vibrations