Geometry & MOs

Info

ID:

408265

PubChem CID:

135081028

Reduced:

BO2F3N6H12C26 (1)

Stoich.:

AB2C3D6E12F26 (1)

Weight, g/mol:

864.287864

ΔHf, kcal/mol:

-87.92

Dipole, Da:

8.28

IP(EA), eV:

 -7.93(-2.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

zinc;(4-hydroxyphenyl)-(15,24,33-tritert-butyl-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(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaen-6-yl)methanone

Drug info:

PubChemData

Smile

[B-]12(N3C4=C5C=CC=CC5=C3N=C6[N+]1=C(C7=CC=CC=C76)N=C8N2C(=N4)C9=CC=CC=C98)OC(=O)C(F)(F)F

DOS

IR

Vibrations