Geometry & MOs

Info

ID:	196722
PubChem CID:	78869318
Reduced:	SF3O3N4H15C18 (1)
Stoich.:	AB3C3D4E15F18 (1)
Weight, g/mol:	384.04994
ΔH_f, kcal/mol:	-215.91
Dipole, Da:	5.25
IP(EA), eV:	-9.42(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-(3-fluorophenyl)-3-oxopentanenitrile

Drug info:

PubChemData

Smile

CN1C(=O)C=CN(C1=O)CC(=O)NC2=NC=C(S2)CC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations