Geometry & MOs

Info

ID:	284809
PubChem CID:	104072298
Reduced:	ClNSO2H8C11 (1)
Stoich.:	ABCD2E8F11 (1)
Weight, g/mol:	241.11365
ΔH_f, kcal/mol:	-10.51
Dipole, Da:	3.74
IP(EA), eV:	-9.09(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=NC=C1Cl)SCC2=CC=C(O2)C=O

DOS

IR

Vibrations