Geometry & MOs

Info

ID:

408120

PubChem CID:

135080877

Reduced:

GaS3N8O10H22C39 (1)

Stoich.:

AB3C8D10E22F39 (1)

Weight, g/mol:

339.81114

ΔHf, kcal/mol:

14.45

Dipole, Da:

4.95

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.268075

Charge, e:

 0

Chem-info

IUPAC name:

1,4-dibromo-2-chloro-1,1,2,4,4-pentafluorobutane

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC3=C(C=C2)C4=NC5=NC(=NC6=C7C=C(C=CC7=C8N6[Ga]N4C3=NC9=NC(=N8)C1=C9C=CC(=C1)S(=O)(=O)O)S(=O)(=O)O)C1=C5C=C(C=C1)S(=O)(=O)O

DOS

IR

Vibrations