Geometry & MOs

Info

ID:	153911
PubChem CID:	56313247
Reduced:	FO2N3C25H30 (1)
Stoich.:	AB2C3D25E30 (1)
Weight, g/mol:	427.100205
ΔH_f, kcal/mol:	-71.06
Dipole, Da:	2.11
IP(EA), eV:	-8.82(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)CN2CCC(CC2)NC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations