Geometry & MOs

Info

ID:	153330
PubChem CID:	56312513
Reduced:	FSN2O2C19H23 (1)
Stoich.:	ABC2D2E19F23 (1)
Weight, g/mol:	315.143471
ΔH_f, kcal/mol:	-105.11
Dipole, Da:	4.83
IP(EA), eV:	-9.21(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-fluorophenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)CCCNC(=O)C1=CC=CS1)C2=CC=CC=C2F

DOS

IR

Vibrations