Geometry & MOs

Info

ID:

51854

PubChem CID:

12014610

Reduced:

NOPS3C12H12 (2)

Stoich.:

ABCD3E12F12 (2)

Weight, g/mol:

685.033857

ΔHf, kcal/mol:

-100.52

Dipole, Da:

14.25

IP(EA), eV:

 -8.69(-1.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,11-bis(4-methoxyphenyl)-5-phenyl-4,11-bis(sulfanylidene)spiro[8,12-dithia-3,5,10-triaza-4lambda5,11lambda5-diphosphatricyclo[7.4.0.02,7]trideca-2(7),9-diene-13,1'-cyclopentane]-6-thione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)P2(=S)NC3=C(C(=S)S2)SC4=NP(=S)(SC5(C34)CCCC5)C6=CC=C(C=C6)OC

DOS

IR

Vibrations