Geometry & MOs

Info

ID:

316008

PubChem CID:

126629618

Reduced:

ClON5C14H20 (1)

Stoich.:

ABC5D14E20 (1)

Weight, g/mol:

708.09627

ΔHf, kcal/mol:

5.18

Dipole, Da:

3.73

IP(EA), eV:

 -7.96(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4R,5R)-4-bromo-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-2-[[[[(2R)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-3-yl] (2S)-2-amino-3-methylbutanoate

Drug info:

PubChemData

Smile

C1COCCN1/C(=N/C(=C\N)/NCC2=CC=C(C=C2)Cl)/N

DOS

IR

Vibrations