Geometry & MOs

Info

ID:	154006
PubChem CID:	56313366
Reduced:	F3O3N4C23H25 (1)
Stoich.:	A3B3C4D23E25 (1)
Weight, g/mol:	441.115855
ΔH_f, kcal/mol:	-195.15
Dipole, Da:	7.49
IP(EA), eV:	-8.73(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(4-ethyl-3-sulfamoylphenyl)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)N2CCCN(CC2)C3=C(C=CC=N3)C#N)OCC(F)(F)F

DOS

IR

Vibrations