Geometry & MOs

Info

ID:

81888

PubChem CID:

49855306

Reduced:

NO5H27C28 (1)

Stoich.:

AB5C27D28 (1)

Weight, g/mol:

1124.383808

ΔHf, kcal/mol:

-114.89

Dipole, Da:

6.52

IP(EA), eV:

 -8.52(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[(1R)-1-[(2R)-3-[[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]phenyl]-2-methylbenzoic acid;sulfuric acid

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=C(C=C3)OCCN4CCOCC4)C5=CC=CC=C5

DOS

IR

Vibrations