Geometry & MOs

Info

ID:

219275

PubChem CID:

85098360

Reduced:

S2N5O7C33H35 (1)

Stoich.:

A2B5C7D33E35 (1)

Weight, g/mol:

685.305981

ΔHf, kcal/mol:

-136.19

Dipole, Da:

4.63

IP(EA), eV:

 -8.86(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

2-[5-[1-[5-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-5-oxopentyl]-3,3-dimethylindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C3C(N=C2N(S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5)N(C(=O)N(C3=O)CC6CC6)CC7CC7

DOS

IR

Vibrations