Geometry & MOs

Info

ID:	153321
PubChem CID:	56312503
Reduced:	FSN2O2C19H19 (1)
Stoich.:	ABC2D2E19F19 (1)
Weight, g/mol:	416.156992
ΔH_f, kcal/mol:	-55.45
Dipole, Da:	4.94
IP(EA), eV:	-9.16(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[2-(2-fluorophenyl)-2-methylpropyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)CC1=CSC(=N1)C2=CC=CO2)C3=CC=CC=C3F

DOS

IR

Vibrations