Geometry & MOs

Info

ID:	219532
PubChem CID:	85149131
Reduced:	O13C26H42 (1)
Stoich.:	A13B26C42 (1)
Weight, g/mol:	562.057705
ΔH_f, kcal/mol:	-614.0
Dipole, Da:	3.94
IP(EA), eV:	-10.52(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[1-(6-chloro-1,2-benzoxazol-3-yl)-2-methyl-5-(trifluoromethoxy)indol-3-yl]sulfanylphenoxy]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCC1C(C2(C(C(C(O2)(COC(=O)C(C)(C)C)OC)O)O)C(=O)O1)(COC(=O)C(C)(C)C)O

DOS

IR

Vibrations