Geometry & MOs

Info

ID:

427312

PubChem CID:

135156843

Reduced:

FO2N5C23H28 (1)

Stoich.:

AB2C5D23E28 (1)

Weight, g/mol:

601.104806

ΔHf, kcal/mol:

-20.09

Dipole, Da:

4.73

IP(EA), eV:

 -9.14(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-2-(2H-tetrazol-5-yl)-3-[4-(trifluoromethoxy)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=NOC(=C2)C3CC3)C(=O)C4=NC5=C(N4)C=C(C=C5)F

DOS

IR

Vibrations