Geometry & MOs

Info

ID:

168223

PubChem CID:

74937950

Reduced:

SCl2O2N4H19C20 (1)

Stoich.:

AB2C2D4E19F20 (1)

Weight, g/mol:

375.10933

ΔHf, kcal/mol:

60.86

Dipole, Da:

8.58

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.898180

Charge, e:

 -1

Chem-info

IUPAC name:

6-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3,9,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,7,9,11,13,15-hexaen-8-olate

Drug info:

PubChemData

Smile

CCCC1=NN=C(N1N=CC2=CC(=C(C=C2)OCC3=C(C=CC=C3Cl)Cl)OC)[S-]

DOS

IR

Vibrations