Geometry & MOs

Info

ID:

15226

PubChem CID:

433882

Reduced:

NSO2C5H10 (1)

Stoich.:

ABC2D5E10 (1)

Weight, g/mol:

149.05105

ΔHf, kcal/mol:

-91.28

Dipole, Da:

5.86

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.756830

Charge, e:

 0

Chem-info

IUPAC name:

1-methyl-1lambda4,2-thiazolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CS1CCC(N1)C(=O)O

DOS

IR

Vibrations