Geometry & MOs

Info

ID:	154207
PubChem CID:	56313612
Reduced:	ClFN2O3H20C24 (1)
Stoich.:	ABC2D3E20F24 (1)
Weight, g/mol:	455.131506
ΔH_f, kcal/mol:	-68.61
Dipole, Da:	2.58
IP(EA), eV:	-9.35(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[4-(ethylsulfonylamino)-3-methylphenyl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations