Geometry & MOs

Info

ID:

382037

PubChem CID:

134972942

Reduced:

NPSeO15C30H42 (1)

Stoich.:

ABCD15E30F42 (1)

Weight, g/mol:

747.196192

ΔHf, kcal/mol:

-704.31

Dipole, Da:

2.76

IP(EA), eV:

 -8.54(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2R,5S)-5-acetamido-4-acetyloxy-3-(benzenecarbonothioyloxy)-2-diethoxyphosphanyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate

Drug info:

PubChemData

Smile

CCOP(OCC)O[C@]1(C(C([C@H](C(O1)[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)[Se]C2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations