Geometry & MOs

Info

ID:	260691
PubChem CID:	103200191
Reduced:	SN2O3C11H14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	243.053158
ΔH_f, kcal/mol:	-76.64
Dipole, Da:	10.14
IP(EA), eV:	-8.83(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-oxo-4-(5-pyridin-3-ylfuran-2-yl)but-3-enoic acid

Drug info:

PubChemData

Smile

CCN(CC)C1=NC=C(S1)/C=C/C(=O)C(=O)O

DOS

IR

Vibrations