Geometry & MOs

Info

ID:

434018

PubChem CID:

135174171

Reduced:

ClPO3N5C19H20 (1)

Stoich.:

ABC3D5E19F20 (1)

Weight, g/mol:

627.21458

ΔHf, kcal/mol:

-66.33

Dipole, Da:

1.98

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.245853

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-3-methyl-5-[[[1-[(2-methylnaphthalen-1-yl)methoxy]propan-2-ylamino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C[C@H](CN1C=NC2=C(N=CN=C21)N)OC[P+](O)(OC3=CC=CC4=CC=CC=C43)Cl

DOS

IR

Vibrations