Geometry & MOs

Info

ID:

161772

PubChem CID:

57392604

Reduced:

NO17C43H75 (1)

Stoich.:

AB17C43D75 (1)

Weight, g/mol:

441.00841

ΔHf, kcal/mol:

-870.97

Dipole, Da:

5.07

IP(EA), eV:

 -9.69(0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[3-[2-[(2-bromo-5-fluorophenyl)methoxy]ethoxy]-1,2-oxazol-5-yl]tetrazol-2-yl]acetic acid

Drug info:

PubChemData

Smile

CC(CCCCCCCCCO)CCCCCCCCOCC(CO[C@H]1[C@@H]([C@H]([C@@H](CO1)OC(=O)C)OC(=O)C)OC(=O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)O)O)NC(=O)C

DOS

IR

Vibrations