Geometry & MOs

Info

ID:

17493

PubChem CID:

501325

Reduced:

BrPN3O9C25H31 (1)

Stoich.:

ABC3D9E25F31 (1)

Weight, g/mol:

627.09813

ΔHf, kcal/mol:

-422.22

Dipole, Da:

7.68

IP(EA), eV:

 -9.26(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,5R)-5-[5-(2-bromoethenyl)-2,4-dioxopyrimidin-1-yl]-2-[(8-methyl-2-oxo-4H-1,3,2lambda5-benzodioxaphosphinin-2-yl)oxymethyl]oxolan-3-yl] (2S)-2-amino-4-methylpentanoate

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)COP(=O)(O2)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C=CBr)OC(=O)[C@H](CC(C)C)N

DOS

IR

Vibrations