Geometry & MOs

Info

ID:	7326
PubChem CID:	72168
Reduced:	BrClO3N6H20C24 (1)
Stoich.:	ABC3D6E20F24 (1)
Weight, g/mol:	554.04688
ΔH_f, kcal/mol:	45.08
Dipole, Da:	6.64
IP(EA), eV:	-9.46(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]-2-butyl-5-chloroimidazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C5=NNN=N5)C(=O)O)Cl

DOS

IR

Vibrations