Geometry & MOs

Info

ID:	153564
PubChem CID:	56312812
Reduced:	F2N3O3H23C26 (1)
Stoich.:	A2B3C3D23E26 (1)
Weight, g/mol:	427.100205
ΔH_f, kcal/mol:	-98.81
Dipole, Da:	5.79
IP(EA), eV:	-9.05(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F)F

DOS

IR

Vibrations