Geometry & MOs

Info

ID:

230036

PubChem CID:

87569909

Reduced:

NSO4C7H10 (1)

Stoich.:

ABC4D7E10 (1)

Weight, g/mol:

206.048704

ΔHf, kcal/mol:

-162.81

Dipole, Da:

2.52

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755893

Charge, e:

 1

Chem-info

IUPAC name:

3-ethyl-1,3-thiazolidin-3-ium-3,4-dicarboxylic acid

Drug info:

PubChemData

Smile

CC[N+]1(CSCC1C(=O)[O-])C(=O)[O-]

DOS

IR

Vibrations