Geometry & MOs

Info

ID:

232328

PubChem CID:

87575996

Reduced:

S3O28C56H84 (1)

Stoich.:

A3B28C56D84 (1)

Weight, g/mol:

123.98548

ΔHf, kcal/mol:

-1353.17

Dipole, Da:

6.53

IP(EA), eV:

 -8.64(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](S1)CCCOCC(CO)(COCCC[C@@H]2[C@H]([C@H]([C@@H]([C@H](S2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)COCCC[C@@H]3[C@H]([C@H]([C@@H]([C@H](S3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations