Geometry & MOs

Info

ID:	26444
PubChem CID:	647980
Reduced:	S2N3O5C13H15 (1)
Stoich.:	A2B3C5D13E15 (1)
Weight, g/mol:	261.113171
ΔH_f, kcal/mol:	-133.49
Dipole, Da:	3.44
IP(EA), eV:	-8.89(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(diethylaminomethyl)-5-ethylfuran-2-carboxylic acid;hydron;chloride

Drug info:

PubChemData

Smile

CCS(=O)(=O)NC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)OC

DOS

IR

Vibrations