Geometry & MOs

Info

ID:

324125

PubChem CID:

126676968

Reduced:

FN2O3C23H27 (1)

Stoich.:

AB2C3D23E27 (1)

Weight, g/mol:

680.06497

ΔHf, kcal/mol:

-126.49

Dipole, Da:

4.77

IP(EA), eV:

 -8.72(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CC[C@H]([C@@H](C1)COC2=CC3=C(CNC3=O)C=C2)C4=CC=C(C=C4)OCCF

DOS

IR

Vibrations