Geometry & MOs

Info

ID:	403896
PubChem CID:	135062488
Reduced:	SF2O2H9C12 (2)
Stoich.:	AB2C2D9E12 (2)
Weight, g/mol:	392.27153
ΔH_f, kcal/mol:	-244.24
Dipole, Da:	3.98
IP(EA), eV:	-9.68(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-phenylmethoxyprop-1-ynoxy)ethyl]-1,3,5-tri(propan-2-yl)benzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)C(CC=C=CC2=CC=C(C=C2)C(F)(F)F)(F)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations