Geometry & MOs

Info

ID:	327825
PubChem CID:	126691119
Reduced:	OSN6H18C20 (1)
Stoich.:	ABC6D18E20 (1)
Weight, g/mol:	474.256864
ΔH_f, kcal/mol:	103.67
Dipole, Da:	4.88
IP(EA), eV:	-9.42(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-5-cyclohexyl-3-(2,2-dimethylpropyl)-5-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]oxolan-2-one

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)C#N)CC5=CSN=N5

DOS

IR

Vibrations