Geometry & MOs

Info

ID:	154193
PubChem CID:	56313598
Reduced:	N3S3O5C20H21 (1)
Stoich.:	A3B3C5D20E21 (1)
Weight, g/mol:	441.115855
ΔH_f, kcal/mol:	-121.79
Dipole, Da:	4.64
IP(EA), eV:	-8.28(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)NCC3=CC(=CC=C3)S(=O)(=O)NC

DOS

IR

Vibrations