Geometry & MOs

Info

ID:

317919

PubChem CID:

126647648

Reduced:

ClN2O2C15H19 (1)

Stoich.:

AB2C2D15E19 (1)

Weight, g/mol:

587.03093

ΔHf, kcal/mol:

-17.61

Dipole, Da:

6.65

IP(EA), eV:

 -9.12(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[(2R,3R,4R,5R)-3-[(2S)-2-aminopropanoyl]oxy-4-bromo-4-chloro-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxo-[[(2R)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium

Drug info:

PubChemData

Smile

CC(C)O/C(=C(/C=C(\C)/C1=C(C=NN1C)C=O)\Cl)/C=C

DOS

IR

Vibrations