Geometry & MOs

Info

ID:

17642

PubChem CID:

509527

Reduced:

FSN3O9C25H30 (1)

Stoich.:

ABC3D9E25F30 (1)

Weight, g/mol:

567.168679

ΔHf, kcal/mol:

-383.15

Dipole, Da:

11.24

IP(EA), eV:

 -9.44(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-fluoro-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid

Drug info:

PubChemData

Smile

CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)O)O.C1[C@@H](O[C@@H](S1)CO)N2C=C(C(=NC2=O)N)F

DOS

IR

Vibrations