Geometry & MOs

Info

ID:	395203
PubChem CID:	135024898
Reduced:	SO3C34H40 (1)
Stoich.:	AB3C34D40 (1)
Weight, g/mol:	214.066365
ΔH_f, kcal/mol:	-77.11
Dipole, Da:	6.32
IP(EA), eV:	-8.34(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-4-(1-methylsulfonylethyl)benzene

Drug info:

PubChemData

Smile

CCCCCCCCC1C(=CC2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C(C)/C=C/C4=CC=CC=C4

DOS

IR

Vibrations