Geometry & MOs

Info

ID:	431965
PubChem CID:	135172093
Reduced:	O2F3N3C26H34 (1)
Stoich.:	A2B3C3D26E34 (1)
Weight, g/mol:	464.278741
ΔH_f, kcal/mol:	-235.66
Dipole, Da:	9.49
IP(EA), eV:	-8.57(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[3-(1H-benzimidazol-2-ylamino)-4-[cyclohexyl(2-methylpropyl)amino]phenyl]ethoxy]acetic acid

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCCCC2)NC3=CC=CC(=N3)C(F)(F)F

DOS

IR

Vibrations