Geometry & MOs

Info

ID:	297072
PubChem CID:	117607586
Reduced:	OF3N4C26H31 (1)
Stoich.:	AB3C4D26E31 (1)
Weight, g/mol:	553.13763
ΔH_f, kcal/mol:	-155.2
Dipole, Da:	6.51
IP(EA), eV:	-8.03(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-[(5-bromo-2-fluorophenyl)methyl]-6-[(5-methylpyridin-2-yl)methoxy]benzimidazol-2-yl]methyl]-2-ethylbutanoic acid

Drug info:

PubChemData

Smile

CCCN(CCC)C1=CC2=C(C=C(N2)C(=O)N3CCC(CC3)C4=CC=CC=C4C(F)(F)F)N=C1

DOS

IR

Vibrations