Geometry & MOs

Info

ID:

51823

PubChem CID:

12014574

Reduced:

NOPC13H13 (2)

Stoich.:

ABCD13E13 (2)

Weight, g/mol:

664.222443

ΔHf, kcal/mol:

-14.55

Dipole, Da:

7.54

IP(EA), eV:

 -6.44(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4,6,10,12-tetramethyl-5,11-bis(4-methylphenyl)-8-morpholin-4-yl-2,8-bis(sulfanylidene)-5,11-diaza-2lambda5,8lambda5-diphosphatricyclo[7.3.0.03,7]dodeca-1(12),3,6,9-tetraen-2-yl]morpholine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C3C(=C2C)[P+](=O)C4=C(N(C(=C4[P+]3=O)C)C5=CC=C(C=C5)C)C)C

DOS

IR

Vibrations