Geometry & MOs

Info

ID:

307767

PubChem CID:

125309017

Reduced:

O3N5H11C13 (1)

Stoich.:

A3B5C11D13 (1)

Weight, g/mol:

529.162545

ΔHf, kcal/mol:

-5.79

Dipole, Da:

3.01

IP(EA), eV:

 -8.98(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl (2S)-2-[[[(2S,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl]oxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

C1CN2C(=O)[C@@H]([C@H](C3=CC=CC1=C32)O)C(=O)C4=NNN=N4

DOS

IR

Vibrations