Geometry & MOs

Info

ID:	85401
PubChem CID:	49874775
Reduced:	BrClSO2N6H20C21 (1)
Stoich.:	ABCD2E6F20G21 (1)
Weight, g/mol:	520.00839
ΔH_f, kcal/mol:	65.32
Dipole, Da:	7.77
IP(EA), eV:	-9.34(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC1=NC(=C(N1CC2=CC(=C(S2)Br)C3=CC=CC=C3C4=NNN=N4)C(=O)OC)Cl

DOS

IR

Vibrations