Geometry & MOs

Info

ID:

394239

PubChem CID:

135022574

Reduced:

NSO5C18H21 (1)

Stoich.:

ABC5D18E21 (1)

Weight, g/mol:

472.226312

ΔHf, kcal/mol:

-153.11

Dipole, Da:

7.22

IP(EA), eV:

 -8.85(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-cyano-2-[(4Z)-3-oxo-4-[(1,3,3-trimethylindol-1-ium-2-yl)methylidene]-2-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]cyclobuten-1-yl]ethenylidene]azanide

Drug info:

PubChemData

Smile

CCC1=C(N(C=C1C)S(=O)(=O)C2=CC=C(C=C2)C)OC(=O)OCC=C

DOS

IR

Vibrations