Geometry & MOs

Info

ID:

433906

PubChem CID:

135174053

Reduced:

PO4N6C25H31 (1)

Stoich.:

AB4C6D25E31 (1)

Weight, g/mol:

627.21458

ΔHf, kcal/mol:

-112.99

Dipole, Da:

5.44

IP(EA), eV:

 -9.04(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COCCNP(=O)(CO[C@H](C)CN2C=NC3=C(N=CN=C32)N)OC4=CC=CC=C4

DOS

IR

Vibrations