Geometry & MOs

Info

ID:

124480

PubChem CID:

50884864

Reduced:

IN4O4C31H31 (1)

Stoich.:

AB4C4D31E31 (1)

Weight, g/mol:

568.102768

ΔHf, kcal/mol:

-16.6

Dipole, Da:

8.94

IP(EA), eV:

 -8.79(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-2-(1,3-benzothiazol-2-yl)-3-[2-[[2-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenoxy]methoxy]phenyl]prop-2-enenitrile

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C(C2=C(NN(C2=O)C3=CC=CC=C3)C)C4=C(NN(C4=O)C5=CC=CC=C5)C)I)OCC

DOS

IR

Vibrations