Geometry & MOs

Info

ID:

302332

PubChem CID:

124361268

Reduced:

SN2F3O4C21H21 (1)

Stoich.:

AB2C3D4E21F21 (1)

Weight, g/mol:

408.062737

ΔHf, kcal/mol:

-268.07

Dipole, Da:

5.52

IP(EA), eV:

 -9.14(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3aS,4R,6R,6aS)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiol-6-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)OC1=CC2=C(C(=C1)C)C(=O)C(=C(O2)C(F)(F)F)C3=CSC(=N3)C)N

DOS

IR

Vibrations