Geometry & MOs

Info

ID:

313824

PubChem CID:

126618119

Reduced:

BrClPN3O9C21H26 (1)

Stoich.:

ABCD3E9F21G26 (1)

Weight, g/mol:

616.99656

ΔHf, kcal/mol:

-442.54

Dipole, Da:

5.06

IP(EA), eV:

 -9.72(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[[(2R,3R,4R,5R)-4-bromo-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC(C)C)N[P@](=O)(OC[C@@H]1[C@H]([C@]([C@@H](O1)N2C=CC(=O)NC2=O)(Cl)Br)O)OC3=CC=CC=C3

DOS

IR

Vibrations