Geometry & MOs

Info

ID:

85077

PubChem CID:

49871629

Reduced:

O26C59H94 (1)

Stoich.:

A26B59C94 (1)

Weight, g/mol:

374.166184

ΔHf, kcal/mol:

-1230.6

Dipole, Da:

3.33

IP(EA), eV:

 -9.37(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl]-1-oxidoindol-1-ium-3-one

Drug info:

PubChemData

Smile

C/C=C(\C)/C(=O)O[C@H]1CC(C[C@@H]2[C@]1([C@@H]([C@@H]([C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)C)C)C)O)O)CO)(C)C

DOS

IR

Vibrations