Geometry & MOs

Info

ID:	284801
PubChem CID:	104072287
Reduced:	SO2C12H16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	296.017701
ΔH_f, kcal/mol:	-54.74
Dipole, Da:	5.42
IP(EA), eV:	-8.95(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-methylsulfonylphenyl)sulfanylmethyl]furan-2-carbaldehyde

Drug info:

PubChemData

Smile

C1CCC(C1)CSCC2=CC=C(O2)C=O

DOS

IR

Vibrations