Geometry & MOs

Info

ID:

51853

PubChem CID:

12014609

Reduced:

N2P2O4S4C25H26 (1)

Stoich.:

A2B2C4D4E25F26 (1)

Weight, g/mol:

625.963729

ΔHf, kcal/mol:

-219.6

Dipole, Da:

11.51

IP(EA), eV:

 -8.68(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,11-bis(4-methoxyphenyl)-4,11-bis(sulfanylidene)spiro[5,8,12-trithia-3,10-diaza-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(=O)O2)SC4=NP(=S)(SC5(C34)CCCCC5)C6=CC=C(C=C6)OC

DOS

IR

Vibrations