Geometry & MOs

Info

ID:

47499

PubChem CID:

10533458

Reduced:

SiN9O11C36H57 (1)

Stoich.:

AB9C11D36E57 (1)

Weight, g/mol:

820.168715

ΔHf, kcal/mol:

-346.12

Dipole, Da:

3.68

IP(EA), eV:

 -8.66(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3S,4S)-2-methyl-3-[(2S,4S,5S,6S)-6-methyl-5-(4-nitrobenzoyl)oxy-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-6-(4-nitrobenzoyl)oxyoxan-4-yl] 4-nitrobenzoate

Drug info:

PubChemData

Smile

C[C@@H](CCOCC1=CC=C(C=C1)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[Si](C)(C)C(C)(C)C)OC(=O)CCCN=[N+]=[N-])OC(=O)CCCN=[N+]=[N-])OC(=O)CCCN=[N+]=[N-]

DOS

IR

Vibrations