Geometry & MOs

Info

ID:

427237

PubChem CID:

135156352

Reduced:

ON2C20H24 (1)

Stoich.:

AB2C20D24 (1)

Weight, g/mol:

707.326717

ΔHf, kcal/mol:

-12.49

Dipole, Da:

3.62

IP(EA), eV:

 -8.85(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(2E)-1,3,3-trimethyl-2-[(2Z,4E)-3-[4-[3-(2-methylprop-2-enoylamino)propylcarbamoyl]phenyl]-5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indole-5-sulfonic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)N3CCCCC3=N2)C=C

DOS

IR

Vibrations