Geometry & MOs

Info

ID:

160732

PubChem CID:

57389600

Reduced:

SF3N3O5H26C28 (1)

Stoich.:

AB3C3D5E26F28 (1)

Weight, g/mol:

559.138877

ΔHf, kcal/mol:

-221.09

Dipole, Da:

8.47

IP(EA), eV:

 -8.72(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1,3-benzothiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C2C(=CC(=C1)C(=O)O)SC(=N2)N3CCC(CC3)OCC4=C(ON=C4C5=CC=CC=C5C(F)(F)F)C6CC6

DOS

IR

Vibrations