Geometry & MOs

Info

ID:	153798
PubChem CID:	56313110
Reduced:	N3O4F6C20H23 (1)
Stoich.:	A3B4C6D20E23 (1)
Weight, g/mol:	420.159769
ΔH_f, kcal/mol:	-449.57
Dipole, Da:	4.64
IP(EA), eV:	-9.06(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CN=C1C(CCNC(=O)CCC2=CC(=C(C=C2)OCC(F)(F)F)OC)(C(F)(F)F)O

DOS

IR

Vibrations