Geometry & MOs

Info

ID:

193690

PubChem CID:

78424676

Reduced:

O2N3C17H32 (1)

Stoich.:

A2B3C17D32 (1)

Weight, g/mol:

218.121475

ΔHf, kcal/mol:

-104.81

Dipole, Da:

6.25

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.753864

Charge, e:

 1

Chem-info

IUPAC name:

propan-2-yl 2-propan-2-yl-1,3-thiazolidin-3-ium-4-carboxylate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N1CCN(CC1)C(=O)C2CCCCC2)[NH3+]

DOS

IR

Vibrations