Geometry & MOs

Info

ID:	431978
PubChem CID:	135172106
Reduced:	ClO2N3C25H34 (1)
Stoich.:	AB2C3D25E34 (1)
Weight, g/mol:	465.262757
ΔH_f, kcal/mol:	-76.41
Dipole, Da:	8.86
IP(EA), eV:	-8.41(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[3-(1,3-benzoxazol-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=NC(=CC=C3)Cl

DOS

IR

Vibrations