Geometry & MOs

Info

ID:	284793
PubChem CID:	104072272
Reduced:	SN2O2C12H12 (1)
Stoich.:	AB2C2D12E12 (1)
Weight, g/mol:	252.001178
ΔH_f, kcal/mol:	-13.15
Dipole, Da:	6.74
IP(EA), eV:	-9.1(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-chlorophenyl)sulfanylmethyl]furan-2-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SCC2=CC=C(O2)C=O)C

DOS

IR

Vibrations