Geometry & MOs

Info

ID:	302006
PubChem CID:	123109442
Reduced:	SO3C14H20 (1)
Stoich.:	AB3C14D20 (1)
Weight, g/mol:	254.097666
ΔH_f, kcal/mol:	-118.27
Dipole, Da:	6.64
IP(EA), eV:	-8.61(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 4-(ethylsulfinylmethyl)benzoate

Drug info:

PubChemData

Smile

CCCOC(=O)C1=CC=C(C=C1)CS(=O)C(C)C

DOS

IR

Vibrations