Geometry & MOs

Info

ID:

298560

PubChem CID:

117651096

Reduced:

FPN3O9C25H32 (1)

Stoich.:

ABC3D9E25F32 (1)

Weight, g/mol:

539.145552

ΔHf, kcal/mol:

-416.21

Dipole, Da:

4.62

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.759471

Charge, e:

 1

Chem-info

IUPAC name:

[[(2R,3R,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-oxo-phenoxyphosphanium

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC1CCCCC1)N(OC[C@@H]2[C@H]([C@@]([C@@H](O2)N3C=CC(=O)NC3=O)(C)F)O)[P+](=O)OC4=CC=CC=C4

DOS

IR

Vibrations