Geometry & MOs

Info

ID:	154754
PubChem CID:	56314271
Reduced:	F3N4O4C21H25 (1)
Stoich.:	A3B4C4D21E25 (1)
Weight, g/mol:	469.147156
ΔH_f, kcal/mol:	-260.02
Dipole, Da:	1.62
IP(EA), eV:	-9.03(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCN1C(=O)C=CC(=N1)C(=O)NCC(C2=CC=C(C=C2)C(F)(F)F)N3CCOCC3

DOS

IR

Vibrations