Geometry & MOs

Info

ID:	153360
PubChem CID:	56312546
Reduced:	FSN3O4C26H26 (1)
Stoich.:	ABC3D4E26F26 (1)
Weight, g/mol:	483.162806
ΔH_f, kcal/mol:	-107.18
Dipole, Da:	4.81
IP(EA), eV:	-9.43(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations