Geometry & MOs

Info

ID:

404192

PubChem CID:

135065377

Reduced:

FNO6C29H42 (1)

Stoich.:

ABC6D29E42 (1)

Weight, g/mol:

1232.319859

ΔHf, kcal/mol:

-344.29

Dipole, Da:

5.03

IP(EA), eV:

 -9.8(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

zinc;6,15,24,33-tetrakis(diethoxyphosphorylmethyl)-7,16,25,34-tetramethyl-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene

Drug info:

PubChemData

Smile

C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4(C3CC[C@@]4(C(=O)CC5CN(C5)C(=O)OC(C)(C)C)O)C)O)F

DOS

IR

Vibrations