Geometry & MOs

Info

ID:

408083

PubChem CID:

135080838

Reduced:

N5C60H66 (2)

Stoich.:

A5B60C66 (2)

Weight, g/mol:

2209.55749

ΔHf, kcal/mol:

358.94

Dipole, Da:

11.23

IP(EA), eV:

 -7.52(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,5,9,10,14,15,19,20,24,25-decakis(4-bromophenyl)-2,7,12,17,22,26,27,29-octaza-28,30-diazanidahexacyclo[21.2.1.13,6.18,11.113,16.118,21]triaconta-1,3,5,7,9,11(29),12,14,16,18(27),19,21,23(26),24-tetradecaene;dioxouranium(2+)

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C2=C(C3=NC4=NC(=NC5=NC(=NC6=C(C(=C(N6)N=C7C(=C(C(=N7)N=C2N3)C8=CC=C(C=C8)C(C)(C)C)C9=CC=C(C=C9)C(C)(C)C)C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(C=C1)C(C)(C)C)C(=C5C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(C=C1)C(C)(C)C)C(=C4C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(C=C1)C(C)(C)C

DOS

IR

Vibrations