Geometry & MOs

Info

ID:

404458

PubChem CID:

135066414

Reduced:

ZnN8O8H48C64 (1)

Stoich.:

AB8C8D48E64 (1)

Weight, g/mol:

1070.473641

ΔHf, kcal/mol:

484.48

Dipole, Da:

5.08

IP(EA), eV:

 -9.1(-2.0)

Spin(Sz, S2):

 None, None

Charge, e:

 -2

Chem-info

IUPAC name:

dichlorotitanium;7,7,10,10,20,20,23,23,33,33,36,36,46,46,49,49-hexadecamethyl-2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,11,13,15,17,19(24),25,27(55),28,30,32(37),38,40,42(53),43,45(50),51-nonadecaene

Drug info:

PubChemData

Smile

C#CCOCC1=CC2=C(C=C1COCC#C)C3=NC4=NC(=NC5=C6C=C(C(=CC6=C([N-]5)N=C7C8=C(C=C(C(=C8)COCC#C)COCC#C)C(=N7)N=C2[N-]3)COCC#C)COCC#C)C9=C4C=C(C(=C9)COCC#C)COCC#C.[Zn+2]

DOS

IR

Vibrations