Geometry & MOs

Info

ID:

51855

PubChem CID:

12014612

Reduced:

O2P2N3S5H29C30 (1)

Stoich.:

A2B2C3D5E29F30 (1)

Weight, g/mol:

699.049507

ΔHf, kcal/mol:

-90.73

Dipole, Da:

3.57

IP(EA), eV:

 -8.56(-1.1)

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'-cyclohexane]-6-thione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)P2(=S)NC3=C(C(=S)N2C4=CC=CC=C4)SC5=NP(=S)(SC6(C35)CCCC6)C7=CC=C(C=C7)OC

DOS

IR

Vibrations