Geometry & MOs

Info

ID:	284794
PubChem CID:	104072274
Reduced:	ClSO2H9C12 (1)
Stoich.:	ABC2D9E12 (1)
Weight, g/mol:	246.071451
ΔH_f, kcal/mol:	-19.19
Dipole, Da:	3.28
IP(EA), eV:	-9.0(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)SCC2=CC=C(O2)C=O

DOS

IR

Vibrations