Geometry & MOs

Info

ID:

193691

PubChem CID:

78424677

Reduced:

NSO2C10H20 (1)

Stoich.:

ABC2D10E20 (1)

Weight, g/mol:

330.060018

ΔHf, kcal/mol:

-98.85

Dipole, Da:

2.24

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755280

Charge, e:

 -1

Chem-info

IUPAC name:

3-benzoyl-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1[NH2+]C(CS1)C(=O)OC(C)C

DOS

IR

Vibrations