Geometry & MOs

Info

ID:	154505
PubChem CID:	56313959
Reduced:	FSN3O5H20C25 (1)
Stoich.:	ABC3D5E20F25 (1)
Weight, g/mol:	440.05357
ΔH_f, kcal/mol:	-98.54
Dipole, Da:	6.37
IP(EA), eV:	-9.32(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(4-bromophenyl)methyl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)S(=O)(=O)NCC2=CC=CO2)NC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations