Geometry & MOs

Info

ID:	148754
PubChem CID:	53788423
Reduced:	ClSO2N5H24C27 (1)
Stoich.:	ABC2D5E24F27 (1)
Weight, g/mol:	353.140277
ΔH_f, kcal/mol:	54.88
Dipole, Da:	9.04
IP(EA), eV:	-9.13(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-5-[4-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexyl]penta-2,4-dienenitrile

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)C#N)N(C1N(CC3=CC(=CC=C3)Cl)S(=O)(=O)C4=CC=CC=C4)CC5=CN=CN5

DOS

IR

Vibrations