Geometry & MOs

Info

ID:

148707

PubChem CID:

53788376

Reduced:

N2F3O3H17C19 (1)

Stoich.:

A2B3C3D17E19 (1)

Weight, g/mol:

1078.294386

ΔHf, kcal/mol:

-202.63

Dipole, Da:

6.06

IP(EA), eV:

-8.36(-0.88)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-3-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]oxan-2-yl] 2-[hydroxy-[2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-3-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]oxan-2-yl]oxycarbonylphenoxy]phosphoryl]oxybenzoate

Drug info:

PubChemData

Smile

CC1=C(NOC2=C1C=C(C=C2)O)CCNC(=O)C3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations