Geometry & MOs

Info

ID:

392515

PubChem CID:

135017004

Reduced:

F2O3C5H8 (1)

Stoich.:

A2B3C5D8 (1)

Weight, g/mol:

671.229051

ΔHf, kcal/mol:

-236.79

Dipole, Da:

2.46

IP(EA), eV:

-10.44(0.88)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[(2R,3R)-5-[1-[[(3aR,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy]ethylideneamino]-4,4-difluoro-3-phenylmethoxyoxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

C1[C@@H](C([C@H](O1)CO)(F)F)O

DOS

IR

Vibrations