Geometry & MOs

Info

ID:	153962
PubChem CID:	56313318
Reduced:	FSO4N5H20C22 (1)
Stoich.:	ABC4D5E20F22 (1)
Weight, g/mol:	427.100205
ΔH_f, kcal/mol:	-57.38
Dipole, Da:	2.94
IP(EA), eV:	-9.03(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=CS2)C(=O)NNC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations