Geometry & MOs

Info

ID:	153963
PubChem CID:	56313319
Reduced:	FSN3O4H18C21 (1)
Stoich.:	ABC3D4E18F21 (1)
Weight, g/mol:	441.115855
ΔH_f, kcal/mol:	-101.07
Dipole, Da:	7.76
IP(EA), eV:	-9.06(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)S(=O)(=O)N

DOS

IR

Vibrations