Geometry & MOs

Info

ID:	322494
PubChem CID:	126670267
Reduced:	ON3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	282.072594
ΔH_f, kcal/mol:	7.22
Dipole, Da:	6.2
IP(EA), eV:	-8.87(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2E,4E)-5-fluoro-2-methylhepta-2,4,6-trienyl]-5-methylsulfanylfuran-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)(C)C1=NC(=O)N(N1)C2=CC=CC=C2

DOS

IR

Vibrations