Geometry & MOs

Info

ID:	23254
PubChem CID:	602927
Reduced:	SO5C16H18 (1)
Stoich.:	AB5C16D18 (1)
Weight, g/mol:	322.087495
ΔH_f, kcal/mol:	-178.2
Dipole, Da:	8.16
IP(EA), eV:	-8.68(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-acetyl-2,5-dimethylfuran-3-yl)methylsulfanylmethyl]-5-methylfuran-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)C(=O)O)CSCC2=C(OC(=C2C(=O)C)C)C

DOS

IR

Vibrations