Geometry & MOs

Info

ID:

44808

PubChem CID:

10506016

Reduced:

O12H24C25 (1)

Stoich.:

A12B24C25 (1)

Weight, g/mol:

516.206758

ΔHf, kcal/mol:

-396.73

Dipole, Da:

6.03

IP(EA), eV:

 -8.82(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-N-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]butanamide

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C(=C3OC)OC(=O)C)OC)OC)OC(=O)C)OC

DOS

IR

Vibrations