Geometry & MOs

Info

ID:	153804
PubChem CID:	56313118
Reduced:	SF3N3O4C21H24 (1)
Stoich.:	AB3C3D4E21F24 (1)
Weight, g/mol:	437.191483
ΔH_f, kcal/mol:	-280.87
Dipole, Da:	5.45
IP(EA), eV:	-9.02(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=CC=C1C(=O)NCC(C2=CC=C(C=C2)C(F)(F)F)N3CCOCC3

DOS

IR

Vibrations