Geometry & MOs

Info

ID:	284815
PubChem CID:	104072309
Reduced:	FSO2H9C12 (1)
Stoich.:	ABC2D9E12 (1)
Weight, g/mol:	213.08235
ΔH_f, kcal/mol:	-57.11
Dipole, Da:	4.2
IP(EA), eV:	-9.02(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(dimethylamino)ethylsulfanylmethyl]furan-2-carbaldehyde

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations