Geometry & MOs

Info

ID:

51852

PubChem CID:

12014606

Reduced:

BiSO3H28C31 (1)

Stoich.:

ABC3D28E31 (1)

Weight, g/mol:

608.025066

ΔHf, kcal/mol:

93.48

Dipole, Da:

5.77

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.923250

Charge, e:

 0

Chem-info

IUPAC name:

4,11-bis(4-methoxyphenyl)-4,11-bis(sulfanylidene)spiro[5-oxa-8,12-dithia-3,10-diaza-4lambda5,11lambda5-diphosphatricyclo[7.4.0.02,7]trideca-2(7),9-diene-13,1'-cyclohexane]-6-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)[Bi](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations