Geometry & MOs

Info

ID:	125462
PubChem CID:	50925197
Reduced:	FOSN5H18C20 (1)
Stoich.:	ABCD5E18F20 (1)
Weight, g/mol:	518.16085
ΔH_f, kcal/mol:	8.17
Dipole, Da:	4.41
IP(EA), eV:	-8.47(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-5-methyl-1,2-oxazol-3-yl]phenyl]phenyl]butanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)C(CN)NC(=O)C2=C(C=CS2)NC3=C4C=CNC4=NC=C3

DOS

IR

Vibrations