Geometry & MOs

Info

ID:

314930

PubChem CID:

126623982

Reduced:

FO3N6C31H33 (1)

Stoich.:

AB3C6D31E33 (1)

Weight, g/mol:

439.13795

ΔHf, kcal/mol:

-81.09

Dipole, Da:

8.78

IP(EA), eV:

 -8.46(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]pyrimidin-5-yl]-3-acetylindol-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C=C2)NC3=CN=CN=C3)CC(=O)N4C[C@@H](C[C@H]4C(=O)NCCCCC5=CC=CC=C5)F

DOS

IR

Vibrations