Geometry & MOs

Info

ID:

15147

PubChem CID:

430756

Reduced:

ClSO4H14C15 (1)

Stoich.:

ABC4D14E15 (1)

Weight, g/mol:

325.030133

ΔHf, kcal/mol:

-23.61

Dipole, Da:

1.81

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.277410

Charge, e:

 1

Chem-info

IUPAC name:

1-phenylisothiochromenylium;trihydroxy(oxo)-lambda5-chlorane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=[S+]C=CC3=CC=CC=C32.OCl(=O)(O)O

DOS

IR

Vibrations