Geometry & MOs

Info

ID:	45032
PubChem CID:	10507377
Reduced:	BrN2Si2O6C23H39 (1)
Stoich.:	AB2C2D6E23F39 (1)
Weight, g/mol:	576.12926
ΔH_f, kcal/mol:	-410.76
Dipole, Da:	5.01
IP(EA), eV:	-8.75(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethoxy-3-(125I)iodanylphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole

Drug info:

PubChemData

Smile

CC(C)[Si]1(OC[C@@H]2[C@H](C[C@@H](O2)N3C(=CC(=O)NC3=O)/C=C\Br)O[Si](O1)(C(C)C)C(C)C)C(C)C

DOS

IR

Vibrations