Geometry & MOs

Info

ID:

328503

PubChem CID:

126723667

Reduced:

F2N2O7H18C23 (1)

Stoich.:

A2B2C7D18E23 (1)

Weight, g/mol:

622.170777

ΔHf, kcal/mol:

-322.68

Dipole, Da:

8.26

IP(EA), eV:

 -10.18(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cyclohexyl (2S)-2-[[[(1R,3R,4R,5S)-3-(2-amino-6-oxo-3H-purin-9-yl)-4-chloro-5-hydroxy-4-methyl-2-oxabicyclo[3.1.0]hexan-6-yl]oxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OCC2[C@H](C([C@@H](O2)N3C=CC(=O)NC3=O)(F)F)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations