Geometry & MOs

Info

ID:	225643
PubChem CID:	87219116
Reduced:	ClN4O6C28H33 (1)
Stoich.:	AB4C6D28E33 (1)
Weight, g/mol:	499.169641
ΔH_f, kcal/mol:	-170.48
Dipole, Da:	8.31
IP(EA), eV:	-9.37(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[[(2-benzyl-3-sulfanylpropanoyl)amino]methyl]-2-butyl-4-chloroimidazol-1-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)OC(C)C(=O)O)C(=O)N(CCC3=CC=CC=C3)CC(=O)NO)Cl

DOS

IR

Vibrations