Geometry & MOs

Info

ID:

297216

PubChem CID:

117613282

Reduced:

FN3O3C11H16 (1)

Stoich.:

AB3C3D11E16 (1)

Weight, g/mol:

659.252028

ΔHf, kcal/mol:

-144.73

Dipole, Da:

3.54

IP(EA), eV:

 -8.28(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2-dimethylpropyl (2S)-2-[[[(2R,3R,4S,5R)-5-(2-amino-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC(=NC2=C)N)CO)F)O

DOS

IR

Vibrations