Geometry & MOs

Info

ID:

324102

PubChem CID:

126676923

Reduced:

BrClPN3O9C21H24 (1)

Stoich.:

ABCD3E9F21G24 (1)

Weight, g/mol:

706.08062

ΔHf, kcal/mol:

-385.75

Dipole, Da:

8.19

IP(EA), eV:

 -9.76(-1.51)

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-[[[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-3-yl] (2S)-2-amino-3-methylbut-3-enoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)OC(C)C)NP(=O)(OC1[C@@H]2[C@]1([C@@]([C@@H](O2)N3C=CC(=O)NC3=O)(Cl)Br)O)OC4=CC=CC=C4

DOS

IR

Vibrations