Geometry & MOs

Info

ID:

181692

PubChem CID:

76777459

Reduced:

GaO2N8H23C40 (1)

Stoich.:

AB2C8D23E40 (1)

Weight, g/mol:

730.13562

ΔHf, kcal/mol:

398.24

Dipole, Da:

5.57

IP(EA), eV:

 -9.09(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,18,27,36,37,39,40,41-octaza-38-galladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaen-38-yl 3,5-dimethylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)O[Ga]2N3C4=C5C=CC=CC5=C3N=C6C7=CC=CC=C7C(=N6)N=C8N2C(=NC9=NC(=N4)C1=CC=CC=C19)C1=CC=CC=C18

DOS

IR

Vibrations