Geometry & MOs

Info

ID:

408114

PubChem CID:

135080870

Reduced:

BrClSC10H10 (1)

Stoich.:

ABCD10E10 (1)

Weight, g/mol:

1184.228727

ΔHf, kcal/mol:

27.1

Dipole, Da:

2.31

IP(EA), eV:

-8.8(-0.65)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

zinc;4-[5,9,10,14,15,19,20-heptakis(4-cyanophenyl)-2,7,12,17,21,23-hexaza-22,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17,19-undecaen-4-yl]benzonitrile

Drug info:

PubChemData

Smile

CCS/C(=C\C1=CC=C(C=C1)Cl)/Br

DOS

IR

Vibrations