Geometry & MOs

Info

ID:	280518
PubChem CID:	103849701
Reduced:	SO5C14H20 (1)
Stoich.:	AB5C14D20 (1)
Weight, g/mol:	298.160266
ΔH_f, kcal/mol:	-205.97
Dipole, Da:	6.47
IP(EA), eV:	-9.42(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-tert-butylsulfonylethoxy)-1-methyl-4-propan-2-ylbenzene

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)(=O)CCOC1=CC=C(C=C1)C(=O)OC

DOS

IR

Vibrations