Geometry & MOs

Info

ID:	284795
PubChem CID:	104072276
Reduced:	SO2C14H14 (1)
Stoich.:	AB2C14D14 (1)
Weight, g/mol:	246.071451
ΔH_f, kcal/mol:	-22.19
Dipole, Da:	5.18
IP(EA), eV:	-8.99(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CSCC2=CC=C(O2)C=O

DOS

IR

Vibrations