Geometry & MOs

Info

ID:	280522
PubChem CID:	103849733
Reduced:	SO3C15H24 (1)
Stoich.:	AB3C15D24 (1)
Weight, g/mol:	310.12388
ΔH_f, kcal/mol:	-139.02
Dipole, Da:	5.2
IP(EA), eV:	-8.68(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-tert-butylsulfonylethoxy)-3,4-dihydro-2H-naphthalen-1-one

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)OCCS(=O)(=O)C(C)(C)C

DOS

IR

Vibrations