Geometry & MOs

Info

ID:

378289

PubChem CID:

134224365

Reduced:

PN7O7C24H30 (1)

Stoich.:

AB7C7D24E30 (1)

Weight, g/mol:

586.16625

ΔHf, kcal/mol:

-233.04

Dipole, Da:

2.85

IP(EA), eV:

 -8.72(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[[(2R,5S)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-phenoxyphosphoryl]amino]-2-methyl-3-[(2S)-4-methyl-3-oxopentan-2-yl]oxypropanal

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OCC=C)NP(=O)(OC[C@@H]1OC[C@@H](O1)N2C=NC3=C(N=C(N=C32)N)NC4CC4)OC5=CC=CC=C5

DOS

IR

Vibrations