Geometry & MOs

Info

ID:	153435
PubChem CID:	56312634
Reduced:	FSN3O3C22H28 (1)
Stoich.:	ABC3D3E22F28 (1)
Weight, g/mol:	339.163457
ΔH_f, kcal/mol:	-126.66
Dipole, Da:	3.58
IP(EA), eV:	-8.79(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C)C3=CC=CC=C3F

DOS

IR

Vibrations