Geometry & MOs

Info

ID:	153475
PubChem CID:	56312696
Reduced:	F3O3N4C21H21 (1)
Stoich.:	A3B3C4D21E21 (1)
Weight, g/mol:	443.09512
ΔH_f, kcal/mol:	-218.99
Dipole, Da:	2.49
IP(EA), eV:	-8.79(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-(2-methoxy-5-sulfamoylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)N2CCC3=C(C2)C4=C(N3)C=CC(=C4)C(=O)OC)C(F)(F)F

DOS

IR

Vibrations