Geometry & MOs

Info

ID:

402037

PubChem CID:

135053956

Reduced:

N2O5C21H26 (1)

Stoich.:

A2B5C21D26 (1)

Weight, g/mol:

687.362501

ΔHf, kcal/mol:

-119.79

Dipole, Da:

2.89

IP(EA), eV:

 -9.51(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-trimethylsilylethyl (1S,2S,3'R,4R,5'S,6S,8R,10R)-8-[2-[(2S,3R,5S,6S)-3,5-dimethyl-6-phenylsulfanyloxan-2-yl]-2-oxoethyl]-3',5',10-trimethylspiro[3,7,12-trioxatricyclo[6.3.1.02,6]dodecane-4,2'-piperidine]-1'-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H](C1=CC=CC=C1)[C@H](COCC2=CC=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations