Geometry & MOs

Info

ID:

215964

PubChem CID:

85085515

Reduced:

NOSeC7H12 (1)

Stoich.:

ABCD7E12 (1)

Weight, g/mol:

205.988509

ΔHf, kcal/mol:

-10.23

Dipole, Da:

1.51

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754327

Charge, e:

 0

Chem-info

IUPAC name:

3-hydroxy-5-oxothiolane-2,3-dicarboxylic acid

Drug info:

PubChemData

Smile

CCCCC1COC(=N1)[Se]

DOS

IR

Vibrations