Geometry & MOs

Info

ID:

325054

PubChem CID:

126679411

Reduced:

SN3O9C38H45 (1)

Stoich.:

AB3C9D38E45 (1)

Weight, g/mol:

503.151492

ΔHf, kcal/mol:

-352.36

Dipole, Da:

2.38

IP(EA), eV:

 -8.66(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,5S)-2-[(1S)-1-azidoethyl]-4-benzoyloxy-5-(4-methylphenyl)sulfanyloxolan-3-yl] benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S[C@H]2C(C([C@H](O2)[C@H](C)N=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations