Geometry & MOs

Info

ID:

11658

PubChem CID:

118633

Reduced:

SSeN2O3C23H25 (1)

Stoich.:

ABC2D3E23F25 (1)

Weight, g/mol:

489.07511

ΔHf, kcal/mol:

-57.02

Dipole, Da:

4.23

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.127726

Charge, e:

 1

Chem-info

IUPAC name:

4-[2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzoselenazol-3-yl]butane-1-sulfonic acid

Drug info:

PubChemData

Smile

CC[N+]1=C(C=CC2=CC=CC=C21)C=C3N(C4=CC=CC=C4[Se]3)CCCCS(=O)(=O)O

DOS

IR

Vibrations