Geometry & MOs

Info

ID:	431809
PubChem CID:	135171915
Reduced:	O3N4C24H34 (1)
Stoich.:	A3B4C24D34 (1)
Weight, g/mol:	490.294391
ΔH_f, kcal/mol:	-119.86
Dipole, Da:	9.92
IP(EA), eV:	-8.55(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[cyclohexyl(2-methylpropyl)amino]-3-[[(4R)-5-oxo-4-phenyl-1,4-dihydroimidazol-2-yl]amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)C)C1=C(C=C(C=C1)C(C)CC(=O)O)NC2=NC=C(C=C2)C(=O)N

DOS

IR

Vibrations