Geometry & MOs

Info

ID:	280519
PubChem CID:	103849715
Reduced:	SO3C16H26 (1)
Stoich.:	AB3C16D26 (1)
Weight, g/mol:	297.103479
ΔH_f, kcal/mol:	-146.48
Dipole, Da:	4.48
IP(EA), eV:	-8.56(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-tert-butylsulfonylethoxy)-3-methoxybenzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C)C)OCCS(=O)(=O)C(C)(C)C

DOS

IR

Vibrations