Geometry & MOs

Info

ID:	154717
PubChem CID:	56314229
Reduced:	OF3N4C21H23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	476.185983
ΔH_f, kcal/mol:	-139.28
Dipole, Da:	6.42
IP(EA), eV:	-8.48(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)N2CCC(CC2)C3=CNC4=CC=CC=C43)C(F)(F)F

DOS

IR

Vibrations