Geometry & MOs

Info

ID:

231922

PubChem CID:

87574915

Reduced:

N3S3O27C56H83 (1)

Stoich.:

A3B3C27D56E83 (1)

Weight, g/mol:

227.077337

ΔHf, kcal/mol:

-1225.23

Dipole, Da:

5.31

IP(EA), eV:

 -8.76(0.0)

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(CN=[N+]=[N-])(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