Geometry & MOs

Info

ID:

408195

PubChem CID:

135080956

Reduced:

SiN10H48C53 (1)

Stoich.:

AB10C48D53 (1)

Weight, g/mol:

737.198214

ΔHf, kcal/mol:

454.65

Dipole, Da:

17.24

IP(EA), eV:

 -7.65(-2.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

oxovanadium(2+);30,30,31,31-tetramethyl-2,15,28,33,46,48-hexaza-45,47-diazanidaundecacyclo[32.10.1.13,14.116,27.129,32.04,13.05,10.017,26.020,25.035,44.038,43]octatetraconta-1(44),2,4(13),5,7,9,11,14(48),15,17(26),18,20,22,24,27,29(46),32,34,36,38,40,42-docosaene

Drug info:

PubChemData

Smile

CC(C)N1C2=C(C=C3C(=C2)C4=NC5=C6C=CC=CC6=C(N5)N=C7C8=CC=CC=C8C(=NC9=NC(=NC3=N4)C2=CC=CC=C29)N7)N=C1C1=CC=C(C=C1)C#C[Si](C(C)C)(C(C)C)C(C)C

DOS

IR

Vibrations