Geometry & MOs

Info

ID:

228806

PubChem CID:

87565848

Reduced:

O10C14H27 (2)

Stoich.:

A10B14C27 (2)

Weight, g/mol:

626.067167

ΔHf, kcal/mol:

-824.78

Dipole, Da:

3.56

IP(EA), eV:

 -9.47(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

O-(1,3-benzothiazol-2-yl) 2-[5-chloro-2-(tritylamino)-1,3-thiazol-4-yl]-2-methoxyiminoethanethioate

Drug info:

PubChemData

Smile

C(COCCOCCOCCOCCOCCOCCOCCOOC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O

DOS

IR

Vibrations