Geometry & MOs

Info

ID:	399812
PubChem CID:	135042890
Reduced:	SO2N5C11H17 (1)
Stoich.:	AB2C5D11E17 (1)
Weight, g/mol:	266.032142
ΔH_f, kcal/mol:	-11.61
Dipole, Da:	5.83
IP(EA), eV:	-9.13(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-(4-chlorophenyl)-5,5,5-trifluoro-4-hydroxypentan-2-one

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCN(CC1)CCN2C=C(C=N2)C#N

DOS

IR

Vibrations