Geometry & MOs

Info

ID:

173870

PubChem CID:

75691815

Reduced:

ClFOSN3C15H18 (1)

Stoich.:

ABCDE3F15G18 (1)

Weight, g/mol:

212.147296

ΔHf, kcal/mol:

-37.44

Dipole, Da:

2.27

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.032991

Charge, e:

 1

Chem-info

IUPAC name:

spiro[1,3-thiazolidin-3-ium-2,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene]

Drug info:

PubChemData

Smile

C[NH+](C)C(CNC(=O)NC1=C(C=CC(=C1)Cl)F)C2=CC=CS2

DOS

IR

Vibrations