Geometry & MOs

Info

ID:	43892
PubChem CID:	10321940
Reduced:	ClON6H23C25 (1)
Stoich.:	ABC6D23E25 (1)
Weight, g/mol:	458.106706
ΔH_f, kcal/mol:	95.35
Dipole, Da:	3.21
IP(EA), eV:	-8.96(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-butyl-5-[(E)-2-carboxy-3-thiophen-2-ylprop-1-enyl]imidazol-1-yl]methyl]-3-chlorobenzoic acid

Drug info:

PubChemData

Smile

CCOCC1=NC2=C(C=CC(=N2)C3=C(C=CC=N3)Cl)C(=N1)NC4=CC=C(C=C4)C(C)(C)C#N

DOS

IR

Vibrations