Geometry & MOs

Info

ID:	232837
PubChem CID:	87577178
Reduced:	NSeH5C9 (1)
Stoich.:	ABC5D9 (1)
Weight, g/mol:	280.09806
ΔH_f, kcal/mol:	69.46
Dipole, Da:	4.4
IP(EA), eV:	-8.85(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanethial

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)C#N)[Se]C=C2

DOS

IR

Vibrations