Geometry & MOs

Info

ID:

391729

PubChem CID:

135008984

Reduced:

N2O2Se2C39H54 (1)

Stoich.:

A2B2C2D39E54 (1)

Weight, g/mol:

743.2594

ΔHf, kcal/mol:

-82.69

Dipole, Da:

9.67

IP(EA), eV:

 -7.88(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

11-[(2Z)-2-[(E)-3-(3-undecyl-1,3-benzoselenazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoselenazol-3-yl]undecanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCC[N+]1=C([Se]C2=CC=CC=C21)/C=C/C=C\3/N(C4=CC=CC=C4[Se]3)CCCCCCCCCCC(=O)[O-]

DOS

IR

Vibrations