Geometry & MOs

Info

ID:

392069

PubChem CID:

135012562

Reduced:

SN3O11C19H27 (1)

Stoich.:

AB3C11D19E27 (1)

Weight, g/mol:

523.127208

ΔHf, kcal/mol:

-474.64

Dipole, Da:

8.79

IP(EA), eV:

 -10.02(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-(tert-butylsulfonylamino)-2-[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]acetate

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1[C@H]([C@@H](O[C@@H]1[C@@H](C(=O)OC)NS(=O)(=O)C(C)(C)C)N2C=CC(=O)NC2=O)OC(=O)C

DOS

IR

Vibrations