Geometry & MOs

Info

ID:	443305
PubChem CID:	135258494
Reduced:	ClN2F3O6H24C31 (1)
Stoich.:	AB2C3D6E24F31 (1)
Weight, g/mol:	549.110978
ΔH_f, kcal/mol:	-225.51
Dipole, Da:	3.4
IP(EA), eV:	-9.29(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R,5R)-5-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]oxolan-2-yl]benzoic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC(=C1)C2=NOC(C2)C3=C(C=C(C=C3)OCC4=C(ON=C4C5=CC=CC=C5OC(F)(F)F)C6CC6)Cl

DOS

IR

Vibrations