Geometry & MOs

Info

ID:	327854
PubChem CID:	126691166
Reduced:	SN2F3O3C25H25 (1)
Stoich.:	AB2C3D3E25F25 (1)
Weight, g/mol:	282.25588
ΔH_f, kcal/mol:	-208.53
Dipole, Da:	3.94
IP(EA), eV:	-8.99(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-6-[(4S,6R)-4,6-dimethyloxan-2-yl]-2,2-dimethyloxane

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations