Geometry & MOs

Info

ID:

47126

PubChem CID:

10529773

Reduced:

SO2C33H52 (1)

Stoich.:

AB2C33D52 (1)

Weight, g/mol:

512.928957

ΔHf, kcal/mol:

-144.94

Dipole, Da:

5.68

IP(EA), eV:

 -9.83(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2,4,4-tetrachloro-7,10,13,16,19,22-hexaoxa-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphaspiro[5.16]docosa-1(6),2,4-triene

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC[C@@H]4S(=O)(=O)C5=CC=CC=C5)C)C

DOS

IR

Vibrations