Geometry & MOs

Info

ID:

17544

PubChem CID:

503953

Reduced:

ClPN2O7C18H18 (1)

Stoich.:

ABC2D7E18F18 (1)

Weight, g/mol:

440.054016

ΔHf, kcal/mol:

-325.22

Dipole, Da:

8.41

IP(EA), eV:

 -9.48(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2R,5S)-5-[(5-chloro-4-methyl-2-oxo-4H-1,3,2lambda5-benzodioxaphosphinin-2-yl)oxymethyl]-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1C2=C(C=CC=C2Cl)OP(=O)(O1)OC[C@@H]3C=C[C@@H](O3)N4C=C(C(=O)NC4=O)C

DOS

IR

Vibrations