Geometry & MOs

Info

ID:

149

PubChem CID:

2190

Reduced:

ClNSH5O5C8 (1)

Stoich.:

ABCD5E5F8 (1)

Weight, g/mol:

261.957696

ΔHf, kcal/mol:

-126.56

Dipole, Da:

8.25

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.018704

Charge, e:

 -1

Chem-info

IUPAC name:

4-chloro-5,6-dihydroxyindole-1-sulfonate

Drug info:

PubChemData

Smile

C1=CN(C2=CC(=C(C(=C21)Cl)O)O)S(=O)(=O)[O-]

DOS

IR

Vibrations